NP-MRD: Showing NP-Card for (2s)-n-[(4e,6e,8s,10e,12e,14s,16r,20r)-8,14-dihydroxy-5,11,19,20-tetramethyl-18-oxo-2,17-dioxabicyclo[14.3.1]icosa-1(19),4,6,10,12-pentaen-3-yl]-2-hydroxypropanimidic acid (NP0319743)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2022-09-11 20:56:02 UTC

Updated at

2022-09-11 20:56:02 UTC

NP-MRD ID

NP0319743

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2s)-n-[(4e,6e,8s,10e,12e,14s,16r,20r)-8,14-dihydroxy-5,11,19,20-tetramethyl-18-oxo-2,17-dioxabicyclo[14.3.1]icosa-1(19),4,6,10,12-pentaen-3-yl]-2-hydroxypropanimidic acid

Description

Based on a literature review very few articles have been published on (2S)-N-[(4Z,6Z,8S,10Z,12Z,14S,16R,20R)-8,14-dihydroxy-5,11,19,20-tetramethyl-18-oxo-2,17-dioxabicyclo[14.3.1]Icosa-1(19),4,6,10,12-pentaen-3-yl]-2-hydroxypropanimidic acid.

Structure

MOL 3D MOL SDF 3D SDF PDB SMILES InChI


  Mrv1652306242104253D          

 68 69  0  0  0  0            999 V2000
    3.2892   -3.5473   -1.4202 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8701   -3.2208   -1.0790 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2938   -2.1015   -1.5588 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9575   -0.9957   -1.8606 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1445    0.2783   -1.3370 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1364    0.3681    0.0853 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2079    0.8704    0.8766 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2511    1.2721    0.2969 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1679    0.9483    2.3451 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2844    0.1751    3.0096 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9715    0.4683    2.8612 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4472    1.3466   -2.0727 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4361    2.6241   -1.7680 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5466    3.6845   -2.8611 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3472    3.0524   -0.3947 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3732    2.6820    0.4059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0479    2.6529    0.0496 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3019    3.1517   -1.2246 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7160    1.3434    0.2930 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.4722    1.3518    1.5778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7406    0.9820    1.6384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5161    1.3815    2.8536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3938    0.2375    0.5840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8335   -0.7804   -0.0471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9450   -1.7372    0.6644 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.8040   -2.4718    1.5199 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2769   -2.6589   -0.3558 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7908   -2.5191   -0.3293 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2200   -3.7652    0.0930 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0869   -4.0868   -0.2220 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6182   -5.1278    0.2244 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1895   -2.2451   -1.7158 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8439   -1.1636   -2.4785 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2876   -4.1268   -2.3617 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8745   -2.6065   -1.4986 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7301   -4.1351   -0.6020 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2506    0.4786   -1.6049 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3028    0.0278    0.6043 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2297    2.0322    2.6145 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2017    0.1233    2.3841 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5716    0.7143    3.9464 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9818   -0.8524    3.2870 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0317   -0.5054    2.8982 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8946    1.0544   -2.9623 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9826    3.2426   -3.7536 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0773    4.5651   -2.4871 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230    4.0317   -3.1645 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1204    3.7466    0.0158 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6299    2.3793    1.4188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5466    3.3998    0.7399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2473    4.1302   -1.2159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9685    0.5280    0.2706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3950    1.1475   -0.5713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9475    1.6711    2.4604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5785    0.4770    3.5150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0021    2.1539    3.4447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5583    1.6421    2.5928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4024    0.5078    0.2750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0127   -0.9400   -1.1069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2171   -1.2737    1.3359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8390   -2.0461    2.4186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6058   -3.6981   -0.0572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7486   -2.5118   -1.3483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4504   -1.7787    0.4189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4493   -3.2060   -2.2717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9839   -0.2094   -1.9798 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8274   -1.5618   -2.8712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2473   -1.0515   -3.4372 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  5 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 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
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 28 32  1  0  0  0  0
 32 33  1  0  0  0  0
 30  2  1  0  0  0  0
 32  3  1  0  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  1 36  1  0  0  0  0
  5 37  1  6  0  0  0
  6 38  1  0  0  0  0
  9 39  1  6  0  0  0
 10 40  1  0  0  0  0
 10 41  1  0  0  0  0
 10 42  1  0  0  0  0
 11 43  1  0  0  0  0
 12 44  1  0  0  0  0
 14 45  1  0  0  0  0
 14 46  1  0  0  0  0
 14 47  1  0  0  0  0
 15 48  1  0  0  0  0
 16 49  1  0  0  0  0
 17 50  1  1  0  0  0
 18 51  1  0  0  0  0
 19 52  1  0  0  0  0
 19 53  1  0  0  0  0
 20 54  1  0  0  0  0
 22 55  1  0  0  0  0
 22 56  1  0  0  0  0
 22 57  1  0  0  0  0
 23 58  1  0  0  0  0
 24 59  1  0  0  0  0
 25 60  1  1  0  0  0
 26 61  1  0  0  0  0
 27 62  1  0  0  0  0
 27 63  1  0  0  0  0
 28 64  1  1  0  0  0
 32 65  1  6  0  0  0
 33 66  1  0  0  0  0
 33 67  1  0  0  0  0
 33 68  1  0  0  0  0
M  END

     RDKit          3D

 68 69  0  0  0  0  0  0  0  0999 V2000
    3.2892   -3.5473   -1.4202 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8701   -3.2208   -1.0790 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2938   -2.1015   -1.5588 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9575   -0.9957   -1.8606 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1445    0.2783   -1.3370 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1364    0.3681    0.0853 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2079    0.8704    0.8766 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2511    1.2721    0.2969 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1679    0.9483    2.3451 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2844    0.1751    3.0096 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9715    0.4683    2.8612 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4472    1.3466   -2.0727 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4361    2.6241   -1.7680 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5466    3.6845   -2.8611 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3472    3.0524   -0.3947 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3732    2.6820    0.4059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0479    2.6529    0.0496 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3019    3.1517   -1.2246 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7160    1.3434    0.2930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4722    1.3518    1.5778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7406    0.9820    1.6384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5161    1.3815    2.8536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3938    0.2375    0.5840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8335   -0.7804   -0.0471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9450   -1.7372    0.6644 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.8040   -2.4718    1.5199 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2769   -2.6589   -0.3558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7908   -2.5191   -0.3293 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2200   -3.7652    0.0930 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0869   -4.0868   -0.2220 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6182   -5.1278    0.2244 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1895   -2.2451   -1.7158 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8439   -1.1636   -2.4785 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2876   -4.1268   -2.3617 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8745   -2.6065   -1.4986 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7301   -4.1351   -0.6020 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2506    0.4786   -1.6049 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3028    0.0278    0.6043 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2297    2.0322    2.6145 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2017    0.1233    2.3841 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5716    0.7143    3.9464 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9818   -0.8524    3.2870 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0317   -0.5054    2.8982 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8946    1.0544   -2.9623 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9826    3.2426   -3.7536 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0773    4.5651   -2.4871 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230    4.0317   -3.1645 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1204    3.7466    0.0158 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6299    2.3793    1.4188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5466    3.3998    0.7399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2473    4.1302   -1.2159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9685    0.5280    0.2706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3950    1.1475   -0.5713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9475    1.6711    2.4604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5785    0.4770    3.5150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0021    2.1539    3.4447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5583    1.6421    2.5928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4024    0.5078    0.2750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0127   -0.9400   -1.1069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2171   -1.2737    1.3359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8390   -2.0461    2.4186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6058   -3.6981   -0.0572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7486   -2.5118   -1.3483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4504   -1.7787    0.4189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4493   -3.2060   -2.2717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9839   -0.2094   -1.9798 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8274   -1.5618   -2.8712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2473   -1.0515   -3.4372 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
  5 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 21 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  2  0
 28 32  1  0
 32 33  1  0
 30  2  1  0
 32  3  1  0
  1 34  1  0
  1 35  1  0
  1 36  1  0
  5 37  1  6
  6 38  1  0
  9 39  1  6
 10 40  1  0
 10 41  1  0
 10 42  1  0
 11 43  1  0
 12 44  1  0
 14 45  1  0
 14 46  1  0
 14 47  1  0
 15 48  1  0
 16 49  1  0
 17 50  1  1
 18 51  1  0
 19 52  1  0
 19 53  1  0
 20 54  1  0
 22 55  1  0
 22 56  1  0
 22 57  1  0
 23 58  1  0
 24 59  1  0
 25 60  1  1
 26 61  1  0
 27 62  1  0
 27 63  1  0
 28 64  1  1
 32 65  1  6
 33 66  1  0
 33 67  1  0
 33 68  1  0
M  END


  Mrv1652306242104253D          

 68 69  0  0  0  0            999 V2000
    3.2892   -3.5473   -1.4202 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8701   -3.2208   -1.0790 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2938   -2.1015   -1.5588 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9575   -0.9957   -1.8606 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1445    0.2783   -1.3370 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1364    0.3681    0.0853 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2079    0.8704    0.8766 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2511    1.2721    0.2969 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1679    0.9483    2.3451 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2844    0.1751    3.0096 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9715    0.4683    2.8612 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4472    1.3466   -2.0727 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4361    2.6241   -1.7680 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5466    3.6845   -2.8611 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3472    3.0524   -0.3947 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3732    2.6820    0.4059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0479    2.6529    0.0496 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3019    3.1517   -1.2246 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7160    1.3434    0.2930 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.4722    1.3518    1.5778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7406    0.9820    1.6384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5161    1.3815    2.8536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3938    0.2375    0.5840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8335   -0.7804   -0.0471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9450   -1.7372    0.6644 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.8040   -2.4718    1.5199 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2769   -2.6589   -0.3558 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7908   -2.5191   -0.3293 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2200   -3.7652    0.0930 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0869   -4.0868   -0.2220 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6182   -5.1278    0.2244 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1895   -2.2451   -1.7158 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8439   -1.1636   -2.4785 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2876   -4.1268   -2.3617 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8745   -2.6065   -1.4986 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7301   -4.1351   -0.6020 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2506    0.4786   -1.6049 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3028    0.0278    0.6043 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2297    2.0322    2.6145 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2017    0.1233    2.3841 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5716    0.7143    3.9464 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9818   -0.8524    3.2870 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0317   -0.5054    2.8982 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8946    1.0544   -2.9623 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9826    3.2426   -3.7536 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0773    4.5651   -2.4871 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230    4.0317   -3.1645 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1204    3.7466    0.0158 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6299    2.3793    1.4188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5466    3.3998    0.7399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2473    4.1302   -1.2159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9685    0.5280    0.2706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3950    1.1475   -0.5713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9475    1.6711    2.4604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5785    0.4770    3.5150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0021    2.1539    3.4447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5583    1.6421    2.5928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4024    0.5078    0.2750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0127   -0.9400   -1.1069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2171   -1.2737    1.3359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8390   -2.0461    2.4186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6058   -3.6981   -0.0572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7486   -2.5118   -1.3483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4504   -1.7787    0.4189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4493   -3.2060   -2.2717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9839   -0.2094   -1.9798 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8274   -1.5618   -2.8712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2473   -1.0515   -3.4372 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  5 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 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
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 28 32  1  0  0  0  0
 32 33  1  0  0  0  0
 30  2  1  0  0  0  0
 32  3  1  0  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  1 36  1  0  0  0  0
  5 37  1  6  0  0  0
  6 38  1  0  0  0  0
  9 39  1  6  0  0  0
 10 40  1  0  0  0  0
 10 41  1  0  0  0  0
 10 42  1  0  0  0  0
 11 43  1  0  0  0  0
 12 44  1  0  0  0  0
 14 45  1  0  0  0  0
 14 46  1  0  0  0  0
 14 47  1  0  0  0  0
 15 48  1  0  0  0  0
 16 49  1  0  0  0  0
 17 50  1  1  0  0  0
 18 51  1  0  0  0  0
 19 52  1  0  0  0  0
 19 53  1  0  0  0  0
 20 54  1  0  0  0  0
 22 55  1  0  0  0  0
 22 56  1  0  0  0  0
 22 57  1  0  0  0  0
 23 58  1  0  0  0  0
 24 59  1  0  0  0  0
 25 60  1  1  0  0  0
 26 61  1  0  0  0  0
 27 62  1  0  0  0  0
 27 63  1  0  0  0  0
 28 64  1  1  0  0  0
 32 65  1  6  0  0  0
 33 66  1  0  0  0  0
 33 67  1  0  0  0  0
 33 68  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0319743

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]O[C@]([H])(C(=O)N([H])[C@@]1([H])OC2=C(C(=O)O[C@]([H])(C([H])([H])[C@]([H])(O[H])\C([H])=C(\[H])/C(=C([H])\C([H])([H])[C@]([H])(O[H])\C([H])=C(\[H])/C(=C1/[H])/C([H])([H])[H])/C([H])([H])[H])[C@@]2([H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]

> <INCHI_IDENTIFIER>
InChI=1S/C25H35NO7/c1-14-6-9-19(28)10-8-15(2)12-22(26-24(30)18(5)27)33-23-16(3)21(13-20(29)11-7-14)32-25(31)17(23)4/h6-8,10-12,16,18-22,27-29H,9,13H2,1-5H3,(H,26,30)/b10-8-,11-7-,14-6-,15-12-/t16-,18+,19+,20-,21-,22+/m1/s1

> <INCHI_KEY>
LZERGKNRPCCRIG-WHOYIKTGSA-N

> <FORMULA>
C25H35NO7

> <MOLECULAR_WEIGHT>
461.555

> <EXACT_MASS>
461.241352471

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
68

> <JCHEM_AVERAGE_POLARIZABILITY>
48.76400434068663

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2S)-N-[(3S,4Z,6Z,8S,10Z,12Z,14S,16R,20R)-8,14-dihydroxy-5,11,19,20-tetramethyl-18-oxo-2,17-dioxabicyclo[14.3.1]icosa-1(19),4,6,10,12-pentaen-3-yl]-2-hydroxypropanamide

> <ALOGPS_LOGP>
1.06

> <JCHEM_LOGP>
1.5844653510000004

> <ALOGPS_LOGS>
-3.88

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.069053889979084

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.750315639885718

> <JCHEM_PKA_STRONGEST_BASIC>
-1.6029057215463096

> <JCHEM_POLAR_SURFACE_AREA>
125.32000000000002

> <JCHEM_REFRACTIVITY>
128.94209999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.05e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-N-[(3S,4Z,6Z,8S,10Z,12Z,14S,16R,20R)-8,14-dihydroxy-5,11,19,20-tetramethyl-18-oxo-2,17-dioxabicyclo[14.3.1]icosa-1(19),4,6,10,12-pentaen-3-yl]-2-hydroxypropanamide

> <JCHEM_VEBER_RULE>
0

$$$$

     RDKit          3D

 68 69  0  0  0  0  0  0  0  0999 V2000
    3.2892   -3.5473   -1.4202 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8701   -3.2208   -1.0790 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2938   -2.1015   -1.5588 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9575   -0.9957   -1.8606 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1445    0.2783   -1.3370 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1364    0.3681    0.0853 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2079    0.8704    0.8766 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2511    1.2721    0.2969 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1679    0.9483    2.3451 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2844    0.1751    3.0096 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9715    0.4683    2.8612 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4472    1.3466   -2.0727 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4361    2.6241   -1.7680 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5466    3.6845   -2.8611 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3472    3.0524   -0.3947 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3732    2.6820    0.4059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0479    2.6529    0.0496 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3019    3.1517   -1.2246 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7160    1.3434    0.2930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4722    1.3518    1.5778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7406    0.9820    1.6384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5161    1.3815    2.8536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3938    0.2375    0.5840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8335   -0.7804   -0.0471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9450   -1.7372    0.6644 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.8040   -2.4718    1.5199 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2769   -2.6589   -0.3558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7908   -2.5191   -0.3293 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2200   -3.7652    0.0930 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0869   -4.0868   -0.2220 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6182   -5.1278    0.2244 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1895   -2.2451   -1.7158 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8439   -1.1636   -2.4785 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2876   -4.1268   -2.3617 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8745   -2.6065   -1.4986 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7301   -4.1351   -0.6020 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2506    0.4786   -1.6049 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3028    0.0278    0.6043 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2297    2.0322    2.6145 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2017    0.1233    2.3841 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5716    0.7143    3.9464 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9818   -0.8524    3.2870 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0317   -0.5054    2.8982 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8946    1.0544   -2.9623 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9826    3.2426   -3.7536 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0773    4.5651   -2.4871 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230    4.0317   -3.1645 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1204    3.7466    0.0158 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6299    2.3793    1.4188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5466    3.3998    0.7399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2473    4.1302   -1.2159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9685    0.5280    0.2706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3950    1.1475   -0.5713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9475    1.6711    2.4604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5785    0.4770    3.5150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0021    2.1539    3.4447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5583    1.6421    2.5928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4024    0.5078    0.2750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0127   -0.9400   -1.1069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2171   -1.2737    1.3359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8390   -2.0461    2.4186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6058   -3.6981   -0.0572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7486   -2.5118   -1.3483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4504   -1.7787    0.4189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4493   -3.2060   -2.2717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9839   -0.2094   -1.9798 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8274   -1.5618   -2.8712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2473   -1.0515   -3.4372 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
  5 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 21 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  2  0
 28 32  1  0
 32 33  1  0
 30  2  1  0
 32  3  1  0
  1 34  1  0
  1 35  1  0
  1 36  1  0
  5 37  1  6
  6 38  1  0
  9 39  1  6
 10 40  1  0
 10 41  1  0
 10 42  1  0
 11 43  1  0
 12 44  1  0
 14 45  1  0
 14 46  1  0
 14 47  1  0
 15 48  1  0
 16 49  1  0
 17 50  1  1
 18 51  1  0
 19 52  1  0
 19 53  1  0
 20 54  1  0
 22 55  1  0
 22 56  1  0
 22 57  1  0
 23 58  1  0
 24 59  1  0
 25 60  1  1
 26 61  1  0
 27 62  1  0
 27 63  1  0
 28 64  1  1
 32 65  1  6
 33 66  1  0
 33 67  1  0
 33 68  1  0
M  END

HEADER    PROTEIN                                 24-JUN-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-JUN-21         0                                  
HETATM    1  C   UNK     0       3.289  -3.547  -1.420  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.870  -3.221  -1.079  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.294  -2.102  -1.559  0.00  0.00           C+0
HETATM    4  O   UNK     0       1.958  -0.996  -1.861  0.00  0.00           O+0
HETATM    5  C   UNK     0       2.144   0.278  -1.337  0.00  0.00           C+0
HETATM    6  N   UNK     0       2.136   0.368   0.085  0.00  0.00           N+0
HETATM    7  C   UNK     0       3.208   0.870   0.877  0.00  0.00           C+0
HETATM    8  O   UNK     0       4.251   1.272   0.297  0.00  0.00           O+0
HETATM    9  C   UNK     0       3.168   0.948   2.345  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.284   0.175   3.010  0.00  0.00           C+0
HETATM   11  O   UNK     0       1.972   0.468   2.861  0.00  0.00           O+0
HETATM   12  C   UNK     0       1.447   1.347  -2.073  0.00  0.00           C+0
HETATM   13  C   UNK     0       1.436   2.624  -1.768  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.547   3.684  -2.861  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.347   3.052  -0.395  0.00  0.00           C+0
HETATM   16  C   UNK     0       0.373   2.682   0.406  0.00  0.00           C+0
HETATM   17  C   UNK     0      -1.048   2.653   0.050  0.00  0.00           C+0
HETATM   18  O   UNK     0      -1.302   3.152  -1.225  0.00  0.00           O+0
HETATM   19  C   UNK     0      -1.716   1.343   0.293  0.00  0.00           C+0
HETATM   20  C   UNK     0      -2.472   1.352   1.578  0.00  0.00           C+0
HETATM   21  C   UNK     0      -3.741   0.982   1.638  0.00  0.00           C+0
HETATM   22  C   UNK     0      -4.516   1.381   2.854  0.00  0.00           C+0
HETATM   23  C   UNK     0      -4.394   0.238   0.584  0.00  0.00           C+0
HETATM   24  C   UNK     0      -3.833  -0.780  -0.047  0.00  0.00           C+0
HETATM   25  C   UNK     0      -2.945  -1.737   0.664  0.00  0.00           C+0
HETATM   26  O   UNK     0      -3.804  -2.472   1.520  0.00  0.00           O+0
HETATM   27  C   UNK     0      -2.277  -2.659  -0.356  0.00  0.00           C+0
HETATM   28  C   UNK     0      -0.791  -2.519  -0.329  0.00  0.00           C+0
HETATM   29  O   UNK     0      -0.220  -3.765   0.093  0.00  0.00           O+0
HETATM   30  C   UNK     0       1.087  -4.087  -0.222  0.00  0.00           C+0
HETATM   31  O   UNK     0       1.618  -5.128   0.224  0.00  0.00           O+0
HETATM   32  C   UNK     0      -0.190  -2.245  -1.716  0.00  0.00           C+0
HETATM   33  C   UNK     0      -0.844  -1.164  -2.478  0.00  0.00           C+0
HETATM   34  H   UNK     0       3.288  -4.127  -2.362  0.00  0.00           H+0
HETATM   35  H   UNK     0       3.874  -2.607  -1.499  0.00  0.00           H+0
HETATM   36  H   UNK     0       3.730  -4.135  -0.602  0.00  0.00           H+0
HETATM   37  H   UNK     0       3.251   0.479  -1.605  0.00  0.00           H+0
HETATM   38  H   UNK     0       1.303   0.028   0.604  0.00  0.00           H+0
HETATM   39  H   UNK     0       3.230   2.032   2.615  0.00  0.00           H+0
HETATM   40  H   UNK     0       5.202   0.123   2.384  0.00  0.00           H+0
HETATM   41  H   UNK     0       4.572   0.714   3.946  0.00  0.00           H+0
HETATM   42  H   UNK     0       3.982  -0.852   3.287  0.00  0.00           H+0
HETATM   43  H   UNK     0       2.032  -0.505   2.898  0.00  0.00           H+0
HETATM   44  H   UNK     0       0.895   1.054  -2.962  0.00  0.00           H+0
HETATM   45  H   UNK     0       1.983   3.243  -3.754  0.00  0.00           H+0
HETATM   46  H   UNK     0       2.077   4.565  -2.487  0.00  0.00           H+0
HETATM   47  H   UNK     0       0.523   4.032  -3.164  0.00  0.00           H+0
HETATM   48  H   UNK     0       2.120   3.747   0.016  0.00  0.00           H+0
HETATM   49  H   UNK     0       0.630   2.379   1.419  0.00  0.00           H+0
HETATM   50  H   UNK     0      -1.547   3.400   0.740  0.00  0.00           H+0
HETATM   51  H   UNK     0      -1.247   4.130  -1.216  0.00  0.00           H+0
HETATM   52  H   UNK     0      -0.969   0.528   0.271  0.00  0.00           H+0
HETATM   53  H   UNK     0      -2.395   1.147  -0.571  0.00  0.00           H+0
HETATM   54  H   UNK     0      -1.948   1.671   2.460  0.00  0.00           H+0
HETATM   55  H   UNK     0      -4.579   0.477   3.515  0.00  0.00           H+0
HETATM   56  H   UNK     0      -4.002   2.154   3.445  0.00  0.00           H+0
HETATM   57  H   UNK     0      -5.558   1.642   2.593  0.00  0.00           H+0
HETATM   58  H   UNK     0      -5.402   0.508   0.275  0.00  0.00           H+0
HETATM   59  H   UNK     0      -4.013  -0.940  -1.107  0.00  0.00           H+0
HETATM   60  H   UNK     0      -2.217  -1.274   1.336  0.00  0.00           H+0
HETATM   61  H   UNK     0      -3.839  -2.046   2.419  0.00  0.00           H+0
HETATM   62  H   UNK     0      -2.606  -3.698  -0.057  0.00  0.00           H+0
HETATM   63  H   UNK     0      -2.749  -2.512  -1.348  0.00  0.00           H+0
HETATM   64  H   UNK     0      -0.450  -1.779   0.419  0.00  0.00           H+0
HETATM   65  H   UNK     0      -0.449  -3.206  -2.272  0.00  0.00           H+0
HETATM   66  H   UNK     0      -0.984  -0.209  -1.980  0.00  0.00           H+0
HETATM   67  H   UNK     0      -1.827  -1.562  -2.871  0.00  0.00           H+0
HETATM   68  H   UNK     0      -0.247  -1.052  -3.437  0.00  0.00           H+0
CONECT    1    2   34   35   36                                             
CONECT    2    1    3   30                                                  
CONECT    3    2    4   32                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   12   37                                             
CONECT    6    5    7   38                                                  
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   11   39                                             
CONECT   10    9   40   41   42                                             
CONECT   11    9   43                                                       
CONECT   12    5   13   44                                                  
CONECT   13   12   14   15                                                  
CONECT   14   13   45   46   47                                             
CONECT   15   13   16   48                                                  
CONECT   16   15   17   49                                                  
CONECT   17   16   18   19   50                                             
CONECT   18   17   51                                                       
CONECT   19   17   20   52   53                                             
CONECT   20   19   21   54                                                  
CONECT   21   20   22   23                                                  
CONECT   22   21   55   56   57                                             
CONECT   23   21   24   58                                                  
CONECT   24   23   25   59                                                  
CONECT   25   24   26   27   60                                             
CONECT   26   25   61                                                       
CONECT   27   25   28   62   63                                             
CONECT   28   27   29   32   64                                             
CONECT   29   28   30                                                       
CONECT   30   29   31    2                                                  
CONECT   31   30                                                            
CONECT   32   28   33    3   65                                             
CONECT   33   32   66   67   68                                             
CONECT   34    1                                                            
CONECT   35    1                                                            
CONECT   36    1                                                            
CONECT   37    5                                                            
CONECT   38    6                                                            
CONECT   39    9                                                            
CONECT   40   10                                                            
CONECT   41   10                                                            
CONECT   42   10                                                            
CONECT   43   11                                                            
CONECT   44   12                                                            
CONECT   45   14                                                            
CONECT   46   14                                                            
CONECT   47   14                                                            
CONECT   48   15                                                            
CONECT   49   16                                                            
CONECT   50   17                                                            
CONECT   51   18                                                            
CONECT   52   19                                                            
CONECT   53   19                                                            
CONECT   54   20                                                            
CONECT   55   22                                                            
CONECT   56   22                                                            
CONECT   57   22                                                            
CONECT   58   23                                                            
CONECT   59   24                                                            
CONECT   60   25                                                            
CONECT   61   26                                                            
CONECT   62   27                                                            
CONECT   63   27                                                            
CONECT   64   28                                                            
CONECT   65   32                                                            
CONECT   66   33                                                            
CONECT   67   33                                                            
CONECT   68   33                                                            
MASTER        0    0    0    0    0    0    0    0   68    0  138    0
END

RDKit          3D

68 69  0  0  0  0  0  0  0  0999 V2000
    3.2892   -3.5473   -1.4202 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8701   -3.2208   -1.0790 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2938   -2.1015   -1.5588 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9575   -0.9957   -1.8606 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1445    0.2783   -1.3370 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1364    0.3681    0.0853 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2079    0.8704    0.8766 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2511    1.2721    0.2969 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1679    0.9483    2.3451 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2844    0.1751    3.0096 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9715    0.4683    2.8612 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4472    1.3466   -2.0727 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4361    2.6241   -1.7680 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5466    3.6845   -2.8611 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3472    3.0524   -0.3947 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3732    2.6820    0.4059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0479    2.6529    0.0496 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3019    3.1517   -1.2246 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7160    1.3434    0.2930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4722    1.3518    1.5778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7406    0.9820    1.6384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5161    1.3815    2.8536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3938    0.2375    0.5840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8335   -0.7804   -0.0471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9450   -1.7372    0.6644 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.8040   -2.4718    1.5199 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2769   -2.6589   -0.3558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7908   -2.5191   -0.3293 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2200   -3.7652    0.0930 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0869   -4.0868   -0.2220 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6182   -5.1278    0.2244 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1895   -2.2451   -1.7158 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8439   -1.1636   -2.4785 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2876   -4.1268   -2.3617 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8745   -2.6065   -1.4986 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7301   -4.1351   -0.6020 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2506    0.4786   -1.6049 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3028    0.0278    0.6043 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2297    2.0322    2.6145 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2017    0.1233    2.3841 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5716    0.7143    3.9464 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9818   -0.8524    3.2870 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0317   -0.5054    2.8982 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8946    1.0544   -2.9623 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9826    3.2426   -3.7536 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0773    4.5651   -2.4871 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230    4.0317   -3.1645 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1204    3.7466    0.0158 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6299    2.3793    1.4188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5466    3.3998    0.7399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2473    4.1302   -1.2159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9685    0.5280    0.2706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3950    1.1475   -0.5713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9475    1.6711    2.4604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5785    0.4770    3.5150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0021    2.1539    3.4447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5583    1.6421    2.5928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4024    0.5078    0.2750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0127   -0.9400   -1.1069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2171   -1.2737    1.3359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8390   -2.0461    2.4186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6058   -3.6981   -0.0572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7486   -2.5118   -1.3483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4504   -1.7787    0.4189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4493   -3.2060   -2.2717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9839   -0.2094   -1.9798 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8274   -1.5618   -2.8712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2473   -1.0515   -3.4372 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
  5 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 21 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  2  0
 28 32  1  0
 32 33  1  0
 30  2  1  0
 32  3  1  0
  1 34  1  0
  1 35  1  0
  1 36  1  0
  5 37  1  6
  6 38  1  0
  9 39  1  6
 10 40  1  0
 10 41  1  0
 10 42  1  0
 11 43  1  0
 12 44  1  0
 14 45  1  0
 14 46  1  0
 14 47  1  0
 15 48  1  0
 16 49  1  0
 17 50  1  1
 18 51  1  0
 19 52  1  0
 19 53  1  0
 20 54  1  0
 22 55  1  0
 22 56  1  0
 22 57  1  0
 23 58  1  0
 24 59  1  0
 25 60  1  1
 26 61  1  0
 27 62  1  0
 27 63  1  0
 28 64  1  1
 32 65  1  6
 33 66  1  0
 33 67  1  0
 33 68  1  0
M  END

View in JSmol

Synonyms

Value	Source
(2S)-N-[(4Z,6Z,8S,10Z,12Z,14S,16R,20R)-8,14-Dihydroxy-5,11,19,20-tetramethyl-18-oxo-2,17-dioxabicyclo[14.3.1]icosa-1(19),4,6,10,12-pentaen-3-yl]-2-hydroxypropanimidate	Generator

Chemical Formula

C₂₅H₃₅NO₇

Average Mass

461.5550 Da

Monoisotopic Mass

461.24135 Da

IUPAC Name

(2S)-N-[(3S,4Z,6Z,8S,10Z,12Z,14S,16R,20R)-8,14-dihydroxy-5,11,19,20-tetramethyl-18-oxo-2,17-dioxabicyclo[14.3.1]icosa-1(19),4,6,10,12-pentaen-3-yl]-2-hydroxypropanamide

Traditional Name

(2S)-N-[(3S,4Z,6Z,8S,10Z,12Z,14S,16R,20R)-8,14-dihydroxy-5,11,19,20-tetramethyl-18-oxo-2,17-dioxabicyclo[14.3.1]icosa-1(19),4,6,10,12-pentaen-3-yl]-2-hydroxypropanamide

CAS Registry Number

Not Available

SMILES

[H]O[C@]([H])(C(=O)N([H])[C@@]1([H])OC2=C(C(=O)O[C@]([H])(C([H])([H])[C@]([H])(O[H])\C([H])=C(\[H])/C(=C([H])\C([H])([H])[C@]([H])(O[H])\C([H])=C(\[H])/C(=C1/[H])/C([H])([H])[H])/C([H])([H])[H])[C@@]2([H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]

InChI Identifier

InChI=1S/C25H35NO7/c1-14-6-9-19(28)10-8-15(2)12-22(26-24(30)18(5)27)33-23-16(3)21(13-20(29)11-7-14)32-25(31)17(23)4/h6-8,10-12,16,18-22,27-29H,9,13H2,1-5H3,(H,26,30)/b10-8-,11-7-,14-6-,15-12-/t16-,18+,19+,20-,21-,22+/m1/s1

InChI Key

LZERGKNRPCCRIG-WHOYIKTGSA-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
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, 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	1.06	ALOGPS
logP	1.58	ChemAxon
logS	-3.9	ALOGPS
pKa (Strongest Acidic)	11.75	ChemAxon
pKa (Strongest Basic)	-1.6	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	125.32 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	128.94 m³·mol⁻¹	ChemAxon
Polarizability	48.76 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	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 (2s)-n-[(4e,6e,8s,10e,12e,14s,16r,20r)-8,14-dihydroxy-5,11,19,20-tetramethyl-18-oxo-2,17-dioxabicyclo[14.3.1]icosa-1(19),4,6,10,12-pentaen-3-yl]-2-hydroxypropanimidic acid (NP0319743)

MOL for NP0319743 ((2s)-n-[(4e,6e,8s,10e,12e,14s,16r,20r)-8,14-dihydroxy-5,11,19,20-tetramethyl-18-oxo-2,17-dioxabicyclo[14.3.1]icosa-1(19),4,6,10,12-pentaen-3-yl]-2-hydroxypropanimidic acid)

3D MOL for NP0319743 ((2s)-n-[(4e,6e,8s,10e,12e,14s,16r,20r)-8,14-dihydroxy-5,11,19,20-tetramethyl-18-oxo-2,17-dioxabicyclo[14.3.1]icosa-1(19),4,6,10,12-pentaen-3-yl]-2-hydroxypropanimidic acid)

3D SDF for NP0319743 ((2s)-n-[(4e,6e,8s,10e,12e,14s,16r,20r)-8,14-dihydroxy-5,11,19,20-tetramethyl-18-oxo-2,17-dioxabicyclo[14.3.1]icosa-1(19),4,6,10,12-pentaen-3-yl]-2-hydroxypropanimidic acid)

3D-SDF for NP0319743 ((2s)-n-[(4e,6e,8s,10e,12e,14s,16r,20r)-8,14-dihydroxy-5,11,19,20-tetramethyl-18-oxo-2,17-dioxabicyclo[14.3.1]icosa-1(19),4,6,10,12-pentaen-3-yl]-2-hydroxypropanimidic acid)

PDB for NP0319743 ((2s)-n-[(4e,6e,8s,10e,12e,14s,16r,20r)-8,14-dihydroxy-5,11,19,20-tetramethyl-18-oxo-2,17-dioxabicyclo[14.3.1]icosa-1(19),4,6,10,12-pentaen-3-yl]-2-hydroxypropanimidic acid)

3D PDB for NP0319743 ((2s)-n-[(4e,6e,8s,10e,12e,14s,16r,20r)-8,14-dihydroxy-5,11,19,20-tetramethyl-18-oxo-2,17-dioxabicyclo[14.3.1]icosa-1(19),4,6,10,12-pentaen-3-yl]-2-hydroxypropanimidic acid)

SMILES for NP0319743 ((2s)-n-[(4e,6e,8s,10e,12e,14s,16r,20r)-8,14-dihydroxy-5,11,19,20-tetramethyl-18-oxo-2,17-dioxabicyclo[14.3.1]icosa-1(19),4,6,10,12-pentaen-3-yl]-2-hydroxypropanimidic acid)

INCHI for NP0319743 ((2s)-n-[(4e,6e,8s,10e,12e,14s,16r,20r)-8,14-dihydroxy-5,11,19,20-tetramethyl-18-oxo-2,17-dioxabicyclo[14.3.1]icosa-1(19),4,6,10,12-pentaen-3-yl]-2-hydroxypropanimidic acid)

Structure for NP0319743 ((2s)-n-[(4e,6e,8s,10e,12e,14s,16r,20r)-8,14-dihydroxy-5,11,19,20-tetramethyl-18-oxo-2,17-dioxabicyclo[14.3.1]icosa-1(19),4,6,10,12-pentaen-3-yl]-2-hydroxypropanimidic acid)

3D Structure for NP0319743 ((2s)-n-[(4e,6e,8s,10e,12e,14s,16r,20r)-8,14-dihydroxy-5,11,19,20-tetramethyl-18-oxo-2,17-dioxabicyclo[14.3.1]icosa-1(19),4,6,10,12-pentaen-3-yl]-2-hydroxypropanimidic acid)