NP-MRD: Showing NP-Card for {[(7r,9s,10r,11s,12e,14s,15s,16z,18e,22r,25r)-3,10-dihydroxy-4,9,15,25-tetramethoxy-7,11,13,19,22-pentamethyl-20,24-dioxo-26-oxa-21-azatricyclo[19.6.0.0⁵,²⁷]heptacosa-1,3,5(27),12,16,18-hexaen-14-yl]oxy}methanimidic acid (NP0148470)

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Record Information

Version

2.0

Created at

2022-09-02 04:13:17 UTC

Updated at

2022-09-02 04:13:17 UTC

NP-MRD ID

NP0148470

Secondary Accession Numbers

None

Natural Product Identification

Common Name

{[(7r,9s,10r,11s,12e,14s,15s,16z,18e,22r,25r)-3,10-dihydroxy-4,9,15,25-tetramethoxy-7,11,13,19,22-pentamethyl-20,24-dioxo-26-oxa-21-azatricyclo[19.6.0.0⁵,²⁷]heptacosa-1,3,5(27),12,16,18-hexaen-14-yl]oxy}methanimidic acid

Description

Based on a literature review very few articles have been published on {[(7R,9S,10R,11S,12Z,14S,15S,16Z,18Z,22R,25R)-3,10-dihydroxy-4,9,15,25-tetramethoxy-7,11,13,19,22-pentamethyl-20,24-dioxo-26-oxa-21-azatricyclo[19.6.0.0⁵,²⁷]Heptacosa-1,3,5(27),12,16,18-hexaen-14-yl]oxy}methanimidic acid.

Structure

MOL 3D MOL SDF 3D SDF PDB SMILES InChI


  Mrv1652307042106573D          

 98100  0  0  0  0            999 V2000
    2.2770   -3.3721   -3.6132 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2681   -2.6409   -2.9801 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0814   -1.4027   -2.3632 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2443   -0.3346   -3.2030 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5695   -0.4623   -4.5492 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0703    0.8883   -2.6465 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7459    1.1071   -1.3144 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5960   -0.0976   -0.4925 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7482   -1.3191   -0.9639 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6547   -2.7485   -0.4908 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2635   -3.3346   -0.4377 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3167   -4.8220   -0.7136 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7765   -3.2166    1.0166 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7025   -3.4136    1.1429 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2493   -4.2878    0.2463 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8769   -5.3360    0.9156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3322   -2.0153    1.0419 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1046   -1.4200    2.2436 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7479   -2.0193    0.5698 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.7746   -1.9695    1.6549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0002   -1.1678   -0.6074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4312    0.0840   -0.5462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1524    0.7089   -1.7170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2284    0.9026    0.6400 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.4159    1.6849    0.8096 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1354    1.7492    1.9671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3155    2.5338    2.1186 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7499    1.0853    2.9660 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1283    1.9726    0.4056 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1011    2.7161    1.5597 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3711    4.0573    1.3658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8684    1.2531    0.1057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4621    1.1068   -1.1309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4283    2.1587   -2.1033 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1989    3.3012   -1.8517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5367    4.5290   -2.3744 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4788    3.4003   -1.1684 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5839    4.5844   -0.6492 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5723    2.4792   -0.9838 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4673    3.3526   -0.2118 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9288    3.2047   -0.3002 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9841    3.4215    1.2381 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3439    2.0783    1.7799 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5183    1.9526    2.0852 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5248    0.9015    2.0010 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0316    0.0590    3.0136 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1325   -0.0784    4.0600 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2760    0.1195    0.8648 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248   -3.3917   -4.7335 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2516   -3.1264   -3.3427 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4453   -4.4554   -3.3328 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6935   -1.3929   -4.9080 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2389    1.7225   -3.3603 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1623   -3.0243    0.4591 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2463   -3.4180   -1.1616 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5374   -2.8211   -1.1017 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3547   -5.1748   -0.8910 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7470   -5.1052   -1.6207 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9581   -5.4011    0.1578 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0576   -2.2691    1.4729 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2918   -4.0235    1.5720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8991   -3.7607    2.1648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1744   -5.9146    1.5578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2202   -6.0806    0.1404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7133   -4.9988    1.5618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7466   -1.5824    0.1760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2664   -2.0369    2.9772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8575   -3.0734    0.1464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6656   -1.3491    1.4119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3252   -1.6949    2.6569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2324   -2.9816    1.8948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8450   -1.5184   -1.6481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9835    1.3061   -1.2812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5032    1.4071   -2.2622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6136   -0.0578   -2.3665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0721    0.4207    1.5899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3149    3.5080    2.4797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2133    2.0451    1.8316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3618    2.6220   -0.4412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6682    4.5749    0.6935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3962    4.5433    2.3623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4257    4.1162    0.9942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3381    0.8653    0.9691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1472    0.1054   -1.4108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9084    2.0633   -3.1103 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1865    5.3955   -2.4323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8808    4.3633   -3.3954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3424    4.8486   -1.7201 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3206    4.4377   -0.5418 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3017    2.1652   -0.2018 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2463    3.5148   -1.3412 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5108    3.8109    0.3850 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5569    4.1611    1.8177 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9322    3.6466    1.3624 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5281    1.2132    2.3501 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4907   -0.7225    4.8615 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9704    0.9558    4.4824 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1213   -0.3709    3.6763 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 24 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 29 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 40 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  2  0  0  0  0
 43 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 45 48  1  0  0  0  0
  9  3  1  0  0  0  0
 39  7  1  0  0  0  0
 48  8  1  0  0  0  0
  1 49  1  0  0  0  0
  1 50  1  0  0  0  0
  1 51  1  0  0  0  0
  5 52  1  0  0  0  0
  6 53  1  0  0  0  0
 10 54  1  0  0  0  0
 10 55  1  0  0  0  0
 11 56  1  6  0  0  0
 12 57  1  0  0  0  0
 12 58  1  0  0  0  0
 12 59  1  0  0  0  0
 13 60  1  0  0  0  0
 13 61  1  0  0  0  0
 14 62  1  1  0  0  0
 16 63  1  0  0  0  0
 16 64  1  0  0  0  0
 16 65  1  0  0  0  0
 17 66  1  6  0  0  0
 18 67  1  0  0  0  0
 19 68  1  6  0  0  0
 20 69  1  0  0  0  0
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 27 78  1  0  0  0  0
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 36 86  1  0  0  0  0
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 47 97  1  0  0  0  0
 47 98  1  0  0  0  0
M  END

     RDKit          3D

 98100  0  0  0  0  0  0  0  0999 V2000
    2.2770   -3.3721   -3.6132 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2681   -2.6409   -2.9801 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0814   -1.4027   -2.3632 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2443   -0.3346   -3.2030 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5695   -0.4623   -4.5492 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0703    0.8883   -2.6465 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7459    1.1071   -1.3144 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5960   -0.0976   -0.4925 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7482   -1.3191   -0.9639 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6547   -2.7485   -0.4908 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2635   -3.3346   -0.4377 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3167   -4.8220   -0.7136 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7765   -3.2166    1.0166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7025   -3.4136    1.1429 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2493   -4.2878    0.2463 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8769   -5.3360    0.9156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3322   -2.0153    1.0419 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1046   -1.4200    2.2436 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7479   -2.0193    0.5698 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.7746   -1.9695    1.6549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0002   -1.1678   -0.6074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4312    0.0840   -0.5462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1524    0.7089   -1.7170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2284    0.9026    0.6400 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.4159    1.6849    0.8096 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1354    1.7492    1.9671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3155    2.5338    2.1186 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7499    1.0853    2.9660 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1283    1.9726    0.4056 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1011    2.7161    1.5597 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3711    4.0573    1.3658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8684    1.2531    0.1057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4621    1.1068   -1.1309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4283    2.1587   -2.1033 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1989    3.3012   -1.8517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5367    4.5290   -2.3744 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4788    3.4003   -1.1684 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5839    4.5844   -0.6492 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5723    2.4792   -0.9838 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4673    3.3526   -0.2118 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9288    3.2047   -0.3002 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END


  Mrv1652307042106573D          

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 43 44  2  0  0  0  0
 43 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 45 48  1  0  0  0  0
  9  3  1  0  0  0  0
 39  7  1  0  0  0  0
 48  8  1  0  0  0  0
  1 49  1  0  0  0  0
  1 50  1  0  0  0  0
  1 51  1  0  0  0  0
  5 52  1  0  0  0  0
  6 53  1  0  0  0  0
 10 54  1  0  0  0  0
 10 55  1  0  0  0  0
 11 56  1  6  0  0  0
 12 57  1  0  0  0  0
 12 58  1  0  0  0  0
 12 59  1  0  0  0  0
 13 60  1  0  0  0  0
 13 61  1  0  0  0  0
 14 62  1  1  0  0  0
 16 63  1  0  0  0  0
 16 64  1  0  0  0  0
 16 65  1  0  0  0  0
 17 66  1  6  0  0  0
 18 67  1  0  0  0  0
 19 68  1  6  0  0  0
 20 69  1  0  0  0  0
 20 70  1  0  0  0  0
 20 71  1  0  0  0  0
 21 72  1  0  0  0  0
 23 73  1  0  0  0  0
 23 74  1  0  0  0  0
 23 75  1  0  0  0  0
 24 76  1  1  0  0  0
 27 77  1  0  0  0  0
 27 78  1  0  0  0  0
 29 79  1  6  0  0  0
 31 80  1  0  0  0  0
 31 81  1  0  0  0  0
 31 82  1  0  0  0  0
 32 83  1  0  0  0  0
 33 84  1  0  0  0  0
 34 85  1  0  0  0  0
 36 86  1  0  0  0  0
 36 87  1  0  0  0  0
 36 88  1  0  0  0  0
 40 89  1  6  0  0  0
 41 90  1  0  0  0  0
 41 91  1  0  0  0  0
 41 92  1  0  0  0  0
 42 93  1  0  0  0  0
 42 94  1  0  0  0  0
 45 95  1  1  0  0  0
 47 96  1  0  0  0  0
 47 97  1  0  0  0  0
 47 98  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0148470

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]OC1=C(OC([H])([H])[H])C2=C3O[C@@]([H])(OC([H])([H])[H])C(=O)C([H])([H])[C@]([H])(N(C3=C1[H])C(=O)\C(=C(\[H])/C(/[H])=C([H])\[C@]([H])(OC([H])([H])[H])[C@@]([H])(OC(=O)N([H])[H])\C(=C([H])/[C@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@@]([H])(OC([H])([H])[H])C([H])([H])[C@]([H])(C([H])([H])[H])C2([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]

> <INCHI_IDENTIFIER>
InChI=1S/C35H50N2O11/c1-18-13-23-31-24(17-25(38)32(23)45-8)37(22(5)16-26(39)34(46-9)47-31)33(41)19(2)11-10-12-27(43-6)30(48-35(36)42)21(4)15-20(3)29(40)28(14-18)44-7/h10-12,15,17-18,20,22,27-30,34,38,40H,13-14,16H2,1-9H3,(H2,36,42)/b12-10-,19-11-,21-15-/t18-,20+,22-,27+,28+,29-,30+,34-/m1/s1

> <INCHI_KEY>
PXOYKBPAZLTGIM-OJCHSIDUSA-N

> <FORMULA>
C35H50N2O11

> <MOLECULAR_WEIGHT>
674.788

> <EXACT_MASS>
674.341460438

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
98

> <JCHEM_AVERAGE_POLARIZABILITY>
70.50475919240436

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(7R,9S,10R,11S,12Z,14S,15S,16Z,18Z,22R,25R)-3,10-dihydroxy-4,9,15,25-tetramethoxy-7,11,13,19,22-pentamethyl-20,24-dioxo-26-oxa-21-azatricyclo[19.6.0.0^{5,27}]heptacosa-1,3,5(27),12,16,18-hexaen-14-yl carbamate

> <ALOGPS_LOGP>
2.96

> <JCHEM_LOGP>
3.9608008749999986

> <ALOGPS_LOGS>
-4.59

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.888482737579576

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.086568268032872

> <JCHEM_PKA_STRONGEST_BASIC>
0.0408988630810202

> <JCHEM_POLAR_SURFACE_AREA>
176.31

> <JCHEM_REFRACTIVITY>
179.63590000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.75e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(7R,9S,10R,11S,12Z,14S,15S,16Z,18Z,22R,25R)-3,10-dihydroxy-4,9,15,25-tetramethoxy-7,11,13,19,22-pentamethyl-20,24-dioxo-26-oxa-21-azatricyclo[19.6.0.0^{5,27}]heptacosa-1,3,5(27),12,16,18-hexaen-14-yl carbamate

> <JCHEM_VEBER_RULE>
0

$$$$

     RDKit          3D

 98100  0  0  0  0  0  0  0  0999 V2000
    2.2770   -3.3721   -3.6132 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2681   -2.6409   -2.9801 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0814   -1.4027   -2.3632 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2443   -0.3346   -3.2030 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5695   -0.4623   -4.5492 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0703    0.8883   -2.6465 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7459    1.1071   -1.3144 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5960   -0.0976   -0.4925 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7482   -1.3191   -0.9639 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6547   -2.7485   -0.4908 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2635   -3.3346   -0.4377 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3167   -4.8220   -0.7136 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7765   -3.2166    1.0166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7025   -3.4136    1.1429 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2493   -4.2878    0.2463 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8769   -5.3360    0.9156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3322   -2.0153    1.0419 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1046   -1.4200    2.2436 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7479   -2.0193    0.5698 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.7746   -1.9695    1.6549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0002   -1.1678   -0.6074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4312    0.0840   -0.5462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1524    0.7089   -1.7170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2284    0.9026    0.6400 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.4159    1.6849    0.8096 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1354    1.7492    1.9671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3155    2.5338    2.1186 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7499    1.0853    2.9660 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1283    1.9726    0.4056 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1011    2.7161    1.5597 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3711    4.0573    1.3658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8684    1.2531    0.1057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4621    1.1068   -1.1309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4283    2.1587   -2.1033 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1989    3.3012   -1.8517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5367    4.5290   -2.3744 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4788    3.4003   -1.1684 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5839    4.5844   -0.6492 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5723    2.4792   -0.9838 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4673    3.3526   -0.2118 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9288    3.2047   -0.3002 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9841    3.4215    1.2381 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3439    2.0783    1.7799 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5183    1.9526    2.0852 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5248    0.9015    2.0010 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0316    0.0590    3.0136 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1325   -0.0784    4.0600 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2760    0.1195    0.8648 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248   -3.3917   -4.7335 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2516   -3.1264   -3.3427 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4453   -4.4554   -3.3328 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6935   -1.3929   -4.9080 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2389    1.7225   -3.3603 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1623   -3.0243    0.4591 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2463   -3.4180   -1.1616 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5374   -2.8211   -1.1017 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3547   -5.1748   -0.8910 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7470   -5.1052   -1.6207 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9581   -5.4011    0.1578 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0576   -2.2691    1.4729 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2918   -4.0235    1.5720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8991   -3.7607    2.1648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1744   -5.9146    1.5578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2202   -6.0806    0.1404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7133   -4.9988    1.5618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7466   -1.5824    0.1760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2664   -2.0369    2.9772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8575   -3.0734    0.1464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6656   -1.3491    1.4119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3252   -1.6949    2.6569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2324   -2.9816    1.8948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8450   -1.5184   -1.6481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9835    1.3061   -1.2812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5032    1.4071   -2.2622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6136   -0.0578   -2.3665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0721    0.4207    1.5899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3149    3.5080    2.4797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2133    2.0451    1.8316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3618    2.6220   -0.4412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6682    4.5749    0.6935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3962    4.5433    2.3623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4257    4.1162    0.9942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3381    0.8653    0.9691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1472    0.1054   -1.4108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9084    2.0633   -3.1103 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1865    5.3955   -2.4323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8808    4.3633   -3.3954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3424    4.8486   -1.7201 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3206    4.4377   -0.5418 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3017    2.1652   -0.2018 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2463    3.5148   -1.3412 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5108    3.8109    0.3850 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5569    4.1611    1.8177 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9322    3.6466    1.3624 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5281    1.2132    2.3501 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4907   -0.7225    4.8615 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9704    0.9558    4.4824 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1213   -0.3709    3.6763 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 14 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 26 28  2  0
 24 29  1  0
 29 30  1  0
 30 31  1  0
 29 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 36  1  0
 35 37  1  0
 37 38  2  0
 37 39  1  0
 39 40  1  0
 40 41  1  0
 40 42  1  0
 42 43  1  0
 43 44  2  0
 43 45  1  0
 45 46  1  0
 46 47  1  0
 45 48  1  0
  9  3  1  0
 39  7  1  0
 48  8  1  0
  1 49  1  0
  1 50  1  0
  1 51  1  0
  5 52  1  0
  6 53  1  0
 10 54  1  0
 10 55  1  0
 11 56  1  6
 12 57  1  0
 12 58  1  0
 12 59  1  0
 13 60  1  0
 13 61  1  0
 14 62  1  1
 16 63  1  0
 16 64  1  0
 16 65  1  0
 17 66  1  6
 18 67  1  0
 19 68  1  6
 20 69  1  0
 20 70  1  0
 20 71  1  0
 21 72  1  0
 23 73  1  0
 23 74  1  0
 23 75  1  0
 24 76  1  1
 27 77  1  0
 27 78  1  0
 29 79  1  6
 31 80  1  0
 31 81  1  0
 31 82  1  0
 32 83  1  0
 33 84  1  0
 34 85  1  0
 36 86  1  0
 36 87  1  0
 36 88  1  0
 40 89  1  6
 41 90  1  0
 41 91  1  0
 41 92  1  0
 42 93  1  0
 42 94  1  0
 45 95  1  1
 47 96  1  0
 47 97  1  0
 47 98  1  0
M  END

HEADER    PROTEIN                                 04-JUL-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-JUL-21         0                                  
HETATM    1  C   UNK     0       2.277  -3.372  -3.613  0.00  0.00           C+0
HETATM    2  O   UNK     0       3.268  -2.641  -2.980  0.00  0.00           O+0
HETATM    3  C   UNK     0       3.081  -1.403  -2.363  0.00  0.00           C+0
HETATM    4  C   UNK     0       3.244  -0.335  -3.203  0.00  0.00           C+0
HETATM    5  O   UNK     0       3.570  -0.462  -4.549  0.00  0.00           O+0
HETATM    6  C   UNK     0       3.070   0.888  -2.647  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.746   1.107  -1.314  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.596  -0.098  -0.493  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.748  -1.319  -0.964  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.655  -2.749  -0.491  0.00  0.00           C+0
HETATM   11  C   UNK     0       1.264  -3.335  -0.438  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.317  -4.822  -0.714  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.777  -3.217   1.017  0.00  0.00           C+0
HETATM   14  C   UNK     0      -0.703  -3.414   1.143  0.00  0.00           C+0
HETATM   15  O   UNK     0      -1.249  -4.288   0.246  0.00  0.00           O+0
HETATM   16  C   UNK     0      -1.877  -5.336   0.916  0.00  0.00           C+0
HETATM   17  C   UNK     0      -1.332  -2.015   1.042  0.00  0.00           C+0
HETATM   18  O   UNK     0      -1.105  -1.420   2.244  0.00  0.00           O+0
HETATM   19  C   UNK     0      -2.748  -2.019   0.570  0.00  0.00           C+0
HETATM   20  C   UNK     0      -3.775  -1.970   1.655  0.00  0.00           C+0
HETATM   21  C   UNK     0      -3.000  -1.168  -0.607  0.00  0.00           C+0
HETATM   22  C   UNK     0      -3.431   0.084  -0.546  0.00  0.00           C+0
HETATM   23  C   UNK     0      -4.152   0.709  -1.717  0.00  0.00           C+0
HETATM   24  C   UNK     0      -3.228   0.903   0.640  0.00  0.00           C+0
HETATM   25  O   UNK     0      -4.416   1.685   0.810  0.00  0.00           O+0
HETATM   26  C   UNK     0      -5.135   1.749   1.967  0.00  0.00           C+0
HETATM   27  N   UNK     0      -6.316   2.534   2.119  0.00  0.00           N+0
HETATM   28  O   UNK     0      -4.750   1.085   2.966  0.00  0.00           O+0
HETATM   29  C   UNK     0      -2.128   1.973   0.406  0.00  0.00           C+0
HETATM   30  O   UNK     0      -2.101   2.716   1.560  0.00  0.00           O+0
HETATM   31  C   UNK     0      -2.371   4.057   1.366  0.00  0.00           C+0
HETATM   32  C   UNK     0      -0.868   1.253   0.106  0.00  0.00           C+0
HETATM   33  C   UNK     0      -0.462   1.107  -1.131  0.00  0.00           C+0
HETATM   34  C   UNK     0      -0.428   2.159  -2.103  0.00  0.00           C+0
HETATM   35  C   UNK     0       0.199   3.301  -1.852  0.00  0.00           C+0
HETATM   36  C   UNK     0      -0.537   4.529  -2.374  0.00  0.00           C+0
HETATM   37  C   UNK     0       1.479   3.400  -1.168  0.00  0.00           C+0
HETATM   38  O   UNK     0       1.584   4.584  -0.649  0.00  0.00           O+0
HETATM   39  N   UNK     0       2.572   2.479  -0.984  0.00  0.00           N+0
HETATM   40  C   UNK     0       3.467   3.353  -0.212  0.00  0.00           C+0
HETATM   41  C   UNK     0       4.929   3.205  -0.300  0.00  0.00           C+0
HETATM   42  C   UNK     0       2.984   3.422   1.238  0.00  0.00           C+0
HETATM   43  C   UNK     0       3.344   2.078   1.780  0.00  0.00           C+0
HETATM   44  O   UNK     0       4.518   1.953   2.085  0.00  0.00           O+0
HETATM   45  C   UNK     0       2.525   0.902   2.001  0.00  0.00           C+0
HETATM   46  O   UNK     0       3.032   0.059   3.014  0.00  0.00           O+0
HETATM   47  C   UNK     0       2.132  -0.078   4.060  0.00  0.00           C+0
HETATM   48  O   UNK     0       2.276   0.120   0.865  0.00  0.00           O+0
HETATM   49  H   UNK     0       2.425  -3.392  -4.734  0.00  0.00           H+0
HETATM   50  H   UNK     0       1.252  -3.126  -3.343  0.00  0.00           H+0
HETATM   51  H   UNK     0       2.445  -4.455  -3.333  0.00  0.00           H+0
HETATM   52  H   UNK     0       3.693  -1.393  -4.908  0.00  0.00           H+0
HETATM   53  H   UNK     0       3.239   1.722  -3.360  0.00  0.00           H+0
HETATM   54  H   UNK     0       3.162  -3.024   0.459  0.00  0.00           H+0
HETATM   55  H   UNK     0       3.246  -3.418  -1.162  0.00  0.00           H+0
HETATM   56  H   UNK     0       0.537  -2.821  -1.102  0.00  0.00           H+0
HETATM   57  H   UNK     0       2.355  -5.175  -0.891  0.00  0.00           H+0
HETATM   58  H   UNK     0       0.747  -5.105  -1.621  0.00  0.00           H+0
HETATM   59  H   UNK     0       0.958  -5.401   0.158  0.00  0.00           H+0
HETATM   60  H   UNK     0       1.058  -2.269   1.473  0.00  0.00           H+0
HETATM   61  H   UNK     0       1.292  -4.024   1.572  0.00  0.00           H+0
HETATM   62  H   UNK     0      -0.899  -3.761   2.165  0.00  0.00           H+0
HETATM   63  H   UNK     0      -1.174  -5.915   1.558  0.00  0.00           H+0
HETATM   64  H   UNK     0      -2.220  -6.081   0.140  0.00  0.00           H+0
HETATM   65  H   UNK     0      -2.713  -4.999   1.562  0.00  0.00           H+0
HETATM   66  H   UNK     0      -0.747  -1.582   0.176  0.00  0.00           H+0
HETATM   67  H   UNK     0      -1.266  -2.037   2.977  0.00  0.00           H+0
HETATM   68  H   UNK     0      -2.857  -3.073   0.146  0.00  0.00           H+0
HETATM   69  H   UNK     0      -4.666  -1.349   1.412  0.00  0.00           H+0
HETATM   70  H   UNK     0      -3.325  -1.695   2.657  0.00  0.00           H+0
HETATM   71  H   UNK     0      -4.232  -2.982   1.895  0.00  0.00           H+0
HETATM   72  H   UNK     0      -2.845  -1.518  -1.648  0.00  0.00           H+0
HETATM   73  H   UNK     0      -4.984   1.306  -1.281  0.00  0.00           H+0
HETATM   74  H   UNK     0      -3.503   1.407  -2.262  0.00  0.00           H+0
HETATM   75  H   UNK     0      -4.614  -0.058  -2.366  0.00  0.00           H+0
HETATM   76  H   UNK     0      -3.072   0.421   1.590  0.00  0.00           H+0
HETATM   77  H   UNK     0      -6.315   3.508   2.480  0.00  0.00           H+0
HETATM   78  H   UNK     0      -7.213   2.045   1.832  0.00  0.00           H+0
HETATM   79  H   UNK     0      -2.362   2.622  -0.441  0.00  0.00           H+0
HETATM   80  H   UNK     0      -1.668   4.575   0.694  0.00  0.00           H+0
HETATM   81  H   UNK     0      -2.396   4.543   2.362  0.00  0.00           H+0
HETATM   82  H   UNK     0      -3.426   4.116   0.994  0.00  0.00           H+0
HETATM   83  H   UNK     0      -0.338   0.865   0.969  0.00  0.00           H+0
HETATM   84  H   UNK     0      -0.147   0.105  -1.411  0.00  0.00           H+0
HETATM   85  H   UNK     0      -0.908   2.063  -3.110  0.00  0.00           H+0
HETATM   86  H   UNK     0       0.187   5.396  -2.432  0.00  0.00           H+0
HETATM   87  H   UNK     0      -0.881   4.363  -3.395  0.00  0.00           H+0
HETATM   88  H   UNK     0      -1.342   4.849  -1.720  0.00  0.00           H+0
HETATM   89  H   UNK     0       3.321   4.438  -0.542  0.00  0.00           H+0
HETATM   90  H   UNK     0       5.302   2.165  -0.202  0.00  0.00           H+0
HETATM   91  H   UNK     0       5.246   3.515  -1.341  0.00  0.00           H+0
HETATM   92  H   UNK     0       5.511   3.811   0.385  0.00  0.00           H+0
HETATM   93  H   UNK     0       3.557   4.161   1.818  0.00  0.00           H+0
HETATM   94  H   UNK     0       1.932   3.647   1.362  0.00  0.00           H+0
HETATM   95  H   UNK     0       1.528   1.213   2.350  0.00  0.00           H+0
HETATM   96  H   UNK     0       2.491  -0.723   4.862  0.00  0.00           H+0
HETATM   97  H   UNK     0       1.970   0.956   4.482  0.00  0.00           H+0
HETATM   98  H   UNK     0       1.121  -0.371   3.676  0.00  0.00           H+0
CONECT    1    2   49   50   51                                             
CONECT    2    1    3                                                       
CONECT    3    2    4    9                                                  
CONECT    4    3    5    6                                                  
CONECT    5    4   52                                                       
CONECT    6    4    7   53                                                  
CONECT    7    6    8   39                                                  
CONECT    8    7    9   48                                                  
CONECT    9    8   10    3                                                  
CONECT   10    9   11   54   55                                             
CONECT   11   10   12   13   56                                             
CONECT   12   11   57   58   59                                             
CONECT   13   11   14   60   61                                             
CONECT   14   13   15   17   62                                             
CONECT   15   14   16                                                       
CONECT   16   15   63   64   65                                             
CONECT   17   14   18   19   66                                             
CONECT   18   17   67                                                       
CONECT   19   17   20   21   68                                             
CONECT   20   19   69   70   71                                             
CONECT   21   19   22   72                                                  
CONECT   22   21   23   24                                                  
CONECT   23   22   73   74   75                                             
CONECT   24   22   25   29   76                                             
CONECT   25   24   26                                                       
CONECT   26   25   27   28                                                  
CONECT   27   26   77   78                                                  
CONECT   28   26                                                            
CONECT   29   24   30   32   79                                             
CONECT   30   29   31                                                       
CONECT   31   30   80   81   82                                             
CONECT   32   29   33   83                                                  
CONECT   33   32   34   84                                                  
CONECT   34   33   35   85                                                  
CONECT   35   34   36   37                                                  
CONECT   36   35   86   87   88                                             
CONECT   37   35   38   39                                                  
CONECT   38   37                                                            
CONECT   39   37   40    7                                                  
CONECT   40   39   41   42   89                                             
CONECT   41   40   90   91   92                                             
CONECT   42   40   43   93   94                                             
CONECT   43   42   44   45                                                  
CONECT   44   43                                                            
CONECT   45   43   46   48   95                                             
CONECT   46   45   47                                                       
CONECT   47   46   96   97   98                                             
CONECT   48   45    8                                                       
CONECT   49    1                                                            
CONECT   50    1                                                            
CONECT   51    1                                                            
CONECT   52    5                                                            
CONECT   53    6                                                            
CONECT   54   10                                                            
CONECT   55   10                                                            
CONECT   56   11                                                            
CONECT   57   12                                                            
CONECT   58   12                                                            
CONECT   59   12                                                            
CONECT   60   13                                                            
CONECT   61   13                                                            
CONECT   62   14                                                            
CONECT   63   16                                                            
CONECT   64   16                                                            
CONECT   65   16                                                            
CONECT   66   17                                                            
CONECT   67   18                                                            
CONECT   68   19                                                            
CONECT   69   20                                                            
CONECT   70   20                                                            
CONECT   71   20                                                            
CONECT   72   21                                                            
CONECT   73   23                                                            
CONECT   74   23                                                            
CONECT   75   23                                                            
CONECT   76   24                                                            
CONECT   77   27                                                            
CONECT   78   27                                                            
CONECT   79   29                                                            
CONECT   80   31                                                            
CONECT   81   31                                                            
CONECT   82   31                                                            
CONECT   83   32                                                            
CONECT   84   33                                                            
CONECT   85   34                                                            
CONECT   86   36                                                            
CONECT   87   36                                                            
CONECT   88   36                                                            
CONECT   89   40                                                            
CONECT   90   41                                                            
CONECT   91   41                                                            
CONECT   92   41                                                            
CONECT   93   42                                                            
CONECT   94   42                                                            
CONECT   95   45                                                            
CONECT   96   47                                                            
CONECT   97   47                                                            
CONECT   98   47                                                            
MASTER        0    0    0    0    0    0    0    0   98    0  200    0
END

RDKit          3D

98100  0  0  0  0  0  0  0  0999 V2000
    2.2770   -3.3721   -3.6132 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2681   -2.6409   -2.9801 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0814   -1.4027   -2.3632 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2443   -0.3346   -3.2030 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5695   -0.4623   -4.5492 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0703    0.8883   -2.6465 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7459    1.1071   -1.3144 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5960   -0.0976   -0.4925 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7482   -1.3191   -0.9639 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6547   -2.7485   -0.4908 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2635   -3.3346   -0.4377 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3167   -4.8220   -0.7136 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7765   -3.2166    1.0166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7025   -3.4136    1.1429 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2493   -4.2878    0.2463 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8769   -5.3360    0.9156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3322   -2.0153    1.0419 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1046   -1.4200    2.2436 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7479   -2.0193    0.5698 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.7746   -1.9695    1.6549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0002   -1.1678   -0.6074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4312    0.0840   -0.5462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1524    0.7089   -1.7170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2284    0.9026    0.6400 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.4159    1.6849    0.8096 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1354    1.7492    1.9671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3155    2.5338    2.1186 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7499    1.0853    2.9660 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1283    1.9726    0.4056 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1011    2.7161    1.5597 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3711    4.0573    1.3658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8684    1.2531    0.1057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4621    1.1068   -1.1309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4283    2.1587   -2.1033 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1989    3.3012   -1.8517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5367    4.5290   -2.3744 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4788    3.4003   -1.1684 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5839    4.5844   -0.6492 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5723    2.4792   -0.9838 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4673    3.3526   -0.2118 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9288    3.2047   -0.3002 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9841    3.4215    1.2381 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3439    2.0783    1.7799 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5183    1.9526    2.0852 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5248    0.9015    2.0010 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0316    0.0590    3.0136 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1325   -0.0784    4.0600 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2760    0.1195    0.8648 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248   -3.3917   -4.7335 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2516   -3.1264   -3.3427 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4453   -4.4554   -3.3328 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6935   -1.3929   -4.9080 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2389    1.7225   -3.3603 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1623   -3.0243    0.4591 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2463   -3.4180   -1.1616 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5374   -2.8211   -1.1017 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3547   -5.1748   -0.8910 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7470   -5.1052   -1.6207 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9581   -5.4011    0.1578 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0576   -2.2691    1.4729 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2918   -4.0235    1.5720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8991   -3.7607    2.1648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1744   -5.9146    1.5578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2202   -6.0806    0.1404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7133   -4.9988    1.5618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7466   -1.5824    0.1760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2664   -2.0369    2.9772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8575   -3.0734    0.1464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6656   -1.3491    1.4119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3252   -1.6949    2.6569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2324   -2.9816    1.8948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8450   -1.5184   -1.6481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9835    1.3061   -1.2812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5032    1.4071   -2.2622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6136   -0.0578   -2.3665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0721    0.4207    1.5899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3149    3.5080    2.4797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2133    2.0451    1.8316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3618    2.6220   -0.4412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6682    4.5749    0.6935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3962    4.5433    2.3623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4257    4.1162    0.9942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3381    0.8653    0.9691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1472    0.1054   -1.4108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9084    2.0633   -3.1103 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1865    5.3955   -2.4323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8808    4.3633   -3.3954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3424    4.8486   -1.7201 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3206    4.4377   -0.5418 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3017    2.1652   -0.2018 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2463    3.5148   -1.3412 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5108    3.8109    0.3850 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5569    4.1611    1.8177 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9322    3.6466    1.3624 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5281    1.2132    2.3501 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4907   -0.7225    4.8615 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9704    0.9558    4.4824 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1213   -0.3709    3.6763 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 14 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 26 28  2  0
 24 29  1  0
 29 30  1  0
 30 31  1  0
 29 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 36  1  0
 35 37  1  0
 37 38  2  0
 37 39  1  0
 39 40  1  0
 40 41  1  0
 40 42  1  0
 42 43  1  0
 43 44  2  0
 43 45  1  0
 45 46  1  0
 46 47  1  0
 45 48  1  0
  9  3  1  0
 39  7  1  0
 48  8  1  0
  1 49  1  0
  1 50  1  0
  1 51  1  0
  5 52  1  0
  6 53  1  0
 10 54  1  0
 10 55  1  0
 11 56  1  6
 12 57  1  0
 12 58  1  0
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 13 60  1  0
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 23 75  1  0
 24 76  1  1
 27 77  1  0
 27 78  1  0
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 31 81  1  0
 31 82  1  0
 32 83  1  0
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 34 85  1  0
 36 86  1  0
 36 87  1  0
 36 88  1  0
 40 89  1  6
 41 90  1  0
 41 91  1  0
 41 92  1  0
 42 93  1  0
 42 94  1  0
 45 95  1  1
 47 96  1  0
 47 97  1  0
 47 98  1  0
M  END

View in JSmol

Synonyms

Value	Source
{[(7R,9S,10R,11S,12Z,14S,15S,16Z,18Z,22R,25R)-3,10-dihydroxy-4,9,15,25-tetramethoxy-7,11,13,19,22-pentamethyl-20,24-dioxo-26-oxa-21-azatricyclo[19.6.0.0,]heptacosa-1,3,5(27),12,16,18-hexaen-14-yl]oxy}methanimidate	Generator

Chemical Formula

C₃₅H₅₀N₂O₁₁

Average Mass

674.7880 Da

Monoisotopic Mass

674.34146 Da

IUPAC Name

(7R,9S,10R,11S,12Z,14S,15S,16Z,18Z,22R,25R)-3,10-dihydroxy-4,9,15,25-tetramethoxy-7,11,13,19,22-pentamethyl-20,24-dioxo-26-oxa-21-azatricyclo[19.6.0.0^{5,27}]heptacosa-1,3,5(27),12,16,18-hexaen-14-yl carbamate

Traditional Name

CAS Registry Number

Not Available

SMILES

[H]OC1=C(OC([H])([H])[H])C2=C3O[C@@]([H])(OC([H])([H])[H])C(=O)C([H])([H])[C@]([H])(N(C3=C1[H])C(=O)\C(=C(\[H])/C(/[H])=C([H])\[C@]([H])(OC([H])([H])[H])[C@@]([H])(OC(=O)N([H])[H])\C(=C([H])/[C@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@@]([H])(OC([H])([H])[H])C([H])([H])[C@]([H])(C([H])([H])[H])C2([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]

InChI Identifier

InChI=1S/C35H50N2O11/c1-18-13-23-31-24(17-25(38)32(23)45-8)37(22(5)16-26(39)34(46-9)47-31)33(41)19(2)11-10-12-27(43-6)30(48-35(36)42)21(4)15-20(3)29(40)28(14-18)44-7/h10-12,15,17-18,20,22,27-30,34,38,40H,13-14,16H2,1-9H3,(H2,36,42)/b12-10-,19-11-,21-15-/t18-,20+,22-,27+,28+,29-,30+,34-/m1/s1

InChI Key

PXOYKBPAZLTGIM-OJCHSIDUSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Classification

Not classified

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	2.96	ALOGPS
logP	3.96	ChemAxon
logS	-4.6	ALOGPS
pKa (Strongest Acidic)	10.09	ChemAxon
pKa (Strongest Basic)	0.041	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	176.31 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	179.64 m³·mol⁻¹	ChemAxon
Polarizability	70.5 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for {[(7r,9s,10r,11s,12e,14s,15s,16z,18e,22r,25r)-3,10-dihydroxy-4,9,15,25-tetramethoxy-7,11,13,19,22-pentamethyl-20,24-dioxo-26-oxa-21-azatricyclo[19.6.0.0⁵,²⁷]heptacosa-1,3,5(27),12,16,18-hexaen-14-yl]oxy}methanimidic acid (NP0148470)

MOL for NP0148470 ({[(7r,9s,10r,11s,12e,14s,15s,16z,18e,22r,25r)-3,10-dihydroxy-4,9,15,25-tetramethoxy-7,11,13,19,22-pentamethyl-20,24-dioxo-26-oxa-21-azatricyclo[19.6.0.0⁵,²⁷]heptacosa-1,3,5(27),12,16,18-hexaen-14-yl]oxy}methanimidic acid)

3D MOL for NP0148470 ({[(7r,9s,10r,11s,12e,14s,15s,16z,18e,22r,25r)-3,10-dihydroxy-4,9,15,25-tetramethoxy-7,11,13,19,22-pentamethyl-20,24-dioxo-26-oxa-21-azatricyclo[19.6.0.0⁵,²⁷]heptacosa-1,3,5(27),12,16,18-hexaen-14-yl]oxy}methanimidic acid)

3D SDF for NP0148470 ({[(7r,9s,10r,11s,12e,14s,15s,16z,18e,22r,25r)-3,10-dihydroxy-4,9,15,25-tetramethoxy-7,11,13,19,22-pentamethyl-20,24-dioxo-26-oxa-21-azatricyclo[19.6.0.0⁵,²⁷]heptacosa-1,3,5(27),12,16,18-hexaen-14-yl]oxy}methanimidic acid)

3D-SDF for NP0148470 ({[(7r,9s,10r,11s,12e,14s,15s,16z,18e,22r,25r)-3,10-dihydroxy-4,9,15,25-tetramethoxy-7,11,13,19,22-pentamethyl-20,24-dioxo-26-oxa-21-azatricyclo[19.6.0.0⁵,²⁷]heptacosa-1,3,5(27),12,16,18-hexaen-14-yl]oxy}methanimidic acid)

PDB for NP0148470 ({[(7r,9s,10r,11s,12e,14s,15s,16z,18e,22r,25r)-3,10-dihydroxy-4,9,15,25-tetramethoxy-7,11,13,19,22-pentamethyl-20,24-dioxo-26-oxa-21-azatricyclo[19.6.0.0⁵,²⁷]heptacosa-1,3,5(27),12,16,18-hexaen-14-yl]oxy}methanimidic acid)

3D PDB for NP0148470 ({[(7r,9s,10r,11s,12e,14s,15s,16z,18e,22r,25r)-3,10-dihydroxy-4,9,15,25-tetramethoxy-7,11,13,19,22-pentamethyl-20,24-dioxo-26-oxa-21-azatricyclo[19.6.0.0⁵,²⁷]heptacosa-1,3,5(27),12,16,18-hexaen-14-yl]oxy}methanimidic acid)

SMILES for NP0148470 ({[(7r,9s,10r,11s,12e,14s,15s,16z,18e,22r,25r)-3,10-dihydroxy-4,9,15,25-tetramethoxy-7,11,13,19,22-pentamethyl-20,24-dioxo-26-oxa-21-azatricyclo[19.6.0.0⁵,²⁷]heptacosa-1,3,5(27),12,16,18-hexaen-14-yl]oxy}methanimidic acid)

INCHI for NP0148470 ({[(7r,9s,10r,11s,12e,14s,15s,16z,18e,22r,25r)-3,10-dihydroxy-4,9,15,25-tetramethoxy-7,11,13,19,22-pentamethyl-20,24-dioxo-26-oxa-21-azatricyclo[19.6.0.0⁵,²⁷]heptacosa-1,3,5(27),12,16,18-hexaen-14-yl]oxy}methanimidic acid)

Structure for NP0148470 ({[(7r,9s,10r,11s,12e,14s,15s,16z,18e,22r,25r)-3,10-dihydroxy-4,9,15,25-tetramethoxy-7,11,13,19,22-pentamethyl-20,24-dioxo-26-oxa-21-azatricyclo[19.6.0.0⁵,²⁷]heptacosa-1,3,5(27),12,16,18-hexaen-14-yl]oxy}methanimidic acid)

3D Structure for NP0148470 ({[(7r,9s,10r,11s,12e,14s,15s,16z,18e,22r,25r)-3,10-dihydroxy-4,9,15,25-tetramethoxy-7,11,13,19,22-pentamethyl-20,24-dioxo-26-oxa-21-azatricyclo[19.6.0.0⁵,²⁷]heptacosa-1,3,5(27),12,16,18-hexaen-14-yl]oxy}methanimidic acid)