NP-MRD: Showing NP-Card for Terrestrin E (NP0005859)

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Record Information

Version

2.0

Created at

2020-12-09 02:59:50 UTC

Updated at

2021-07-15 16:53:10 UTC

NP-MRD ID

NP0005859

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Terrestrin E

Provided By

NPAtlas

Description

Terrestrin E is found in Thelephora terrestris. Based on a literature review very few articles have been published on Terrestrin E.

Structure

MOL 3D MOL SDF 3D SDF PDB SMILES InChI


  Mrv1652307012118053D          

 83 89  0  0  0  0            999 V2000
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M  END

     RDKit          3D

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    6.7689   -2.3370   -4.7293 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9698   -4.2358   -3.3822 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0813   -3.8290   -1.0761 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5783   -5.3877    3.6780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9505   -7.0834    4.5634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0543   -5.9600    4.0160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3751   -2.7764    2.3797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3892   -1.3859    0.8589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1830    0.0476   -0.1468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7592   -3.4973   -0.1327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4500   -4.7937   -2.1125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3569   -3.7791   -4.3965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5628   -1.4813   -4.5833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8835   -0.1801   -2.6908 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  2 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 18 20  2  0
 12 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 21 32  2  0
 32 33  1  0
 33 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  1  0
 36 38  2  0
 38 39  1  0
 38 40  1  0
 40 41  2  0
 41 42  1  0
 42 43  2  0
 43 44  1  0
 44 45  1  0
 45 46  2  0
 45 47  1  0
 47 48  1  0
 48 49  2  0
 49 50  1  0
 50 51  2  0
 51 52  1  0
 52 53  2  0
  9  4  1  0
 43 11  1  0
 53 48  1  0
 20 13  1  0
 31 26  1  0
 42 32  1  0
 41 34  1  0
  3 54  1  0
  3 55  1  0
  5 56  1  0
  6 57  1  0
  7 58  1  0
  8 59  1  0
  9 60  1  0
 14 61  1  0
 15 62  1  0
 17 63  1  0
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 20 65  1  0
 25 66  1  0
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 28 69  1  0
 29 70  1  0
 30 71  1  0
 31 72  1  0
 35 73  1  0
 37 74  1  0
 39 75  1  0
 40 76  1  0
 47 77  1  0
 47 78  1  0
 49 79  1  0
 50 80  1  0
 51 81  1  0
 52 82  1  0
 53 83  1  0
M  END


  Mrv1652307012118053D          

 83 89  0  0  0  0            999 V2000
   -0.9795    2.6682    2.0722 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4448    2.6617    0.9234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1531    3.8115    0.3166 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2669    5.0296    0.3613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3072    5.8842    1.4266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5049    7.0142    1.5384 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3747    7.2660    0.5008 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4404    6.4210   -0.5923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3849    5.2971   -0.6624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2801    1.5048    0.1759 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5932    0.4005    0.7296 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7871    0.3561    0.7418 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5160    1.4642    0.1912 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6467    1.5618   -1.1875 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    2.5935   -1.8047 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8776    3.5897   -0.9997 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5548    4.6465   -1.5930 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7390    3.4790    0.3822 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2769    4.4277    1.2116 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    2.4352    0.9918 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3459   -0.7660    1.3073 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6981   -0.8964    1.3655 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3944   -1.2459    0.2116 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7937   -1.4416   -0.8776 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8703   -1.4045    0.1993 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3859   -1.7176   -1.1484 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8467   -0.6838   -1.9466 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3330   -0.9178   -3.2103 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3752   -2.2052   -3.7234 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9217   -3.2488   -2.9459 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4392   -2.9873   -1.6826 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5771   -1.7908    1.8345 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9341   -2.9103    2.4042 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1229   -3.5958    2.7640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3030   -4.8225    3.3949 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5724   -5.3055    3.6550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7387   -6.5163    4.2783 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6819   -4.5737    3.2905 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9286   -5.0858    3.5659 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5157   -3.3461    2.6590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2566   -2.8946    2.4146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8056   -1.7205    1.8099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3699   -0.6138    1.2506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7553   -0.5097    1.2044 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4058   -1.0809    0.0971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7137   -1.6519   -0.7688 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8760   -1.0194   -0.0577 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.2800   -1.7680   -1.2586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7245   -3.0705   -1.1248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1052   -3.7815   -2.2357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0568   -3.2303   -3.4912 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6136   -1.9358   -3.6120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2187   -1.1848   -2.5007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0189    4.0190    0.9856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4858    3.5556   -0.6862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0243    5.6386    2.2223 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5586    7.6763    2.4033 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0155    8.1461    0.5658 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1247    6.6155   -1.4018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3433    4.6200   -1.5236 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2162    0.7993   -1.8505 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4275    2.6980   -2.8545 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9683    5.3727   -1.0407 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7836    5.2399    0.9268 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9504    2.3269    2.0590 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0867   -2.3015    0.8508 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3474   -0.5469    0.6741 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8297    0.3385   -1.5758 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6985   -0.1084   -3.8467 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7689   -2.3370   -4.7293 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9698   -4.2358   -3.3822 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0813   -3.8290   -1.0761 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5783   -5.3877    3.6780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9505   -7.0834    4.5634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0543   -5.9600    4.0160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3751   -2.7764    2.3797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3892   -1.3859    0.8589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1830    0.0476   -0.1468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7592   -3.4973   -0.1327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4500   -4.7937   -2.1125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3569   -3.7791   -4.3965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5628   -1.4813   -4.5833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8835   -0.1801   -2.6908 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  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
  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
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 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
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 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 12 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
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 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 21 32  2  0  0  0  0
 32 33  1  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
 36 37  1  0  0  0  0
 36 38  2  0  0  0  0
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 42  1  0  0  0  0
 42 43  2  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  2  0  0  0  0
 45 47  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  2  0  0  0  0
 49 50  1  0  0  0  0
 50 51  2  0  0  0  0
 51 52  1  0  0  0  0
 52 53  2  0  0  0  0
  9  4  1  0  0  0  0
 43 11  1  0  0  0  0
 53 48  1  0  0  0  0
 20 13  1  0  0  0  0
 31 26  1  0  0  0  0
 42 32  1  0  0  0  0
 41 34  1  0  0  0  0
  3 54  1  0  0  0  0
  3 55  1  0  0  0  0
  5 56  1  0  0  0  0
  6 57  1  0  0  0  0
  7 58  1  0  0  0  0
  8 59  1  0  0  0  0
  9 60  1  0  0  0  0
 14 61  1  0  0  0  0
 15 62  1  0  0  0  0
 17 63  1  0  0  0  0
 19 64  1  0  0  0  0
 20 65  1  0  0  0  0
 25 66  1  0  0  0  0
 25 67  1  0  0  0  0
 27 68  1  0  0  0  0
 28 69  1  0  0  0  0
 29 70  1  0  0  0  0
 30 71  1  0  0  0  0
 31 72  1  0  0  0  0
 35 73  1  0  0  0  0
 37 74  1  0  0  0  0
 39 75  1  0  0  0  0
 40 76  1  0  0  0  0
 47 77  1  0  0  0  0
 47 78  1  0  0  0  0
 49 79  1  0  0  0  0
 50 80  1  0  0  0  0
 51 81  1  0  0  0  0
 52 82  1  0  0  0  0
 53 83  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0005859

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]OC1=C([H])C([H])=C(C([H])=C1O[H])C1=C(OC(=O)C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C(OC(=O)C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])=C2C3=C([H])C(O[H])=C(O[H])C([H])=C3OC2=C1OC(=O)C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]

> <INCHI_IDENTIFIER>
InChI=1S/C42H30O11/c43-29-17-16-27(21-30(29)44)37-39(51-34(47)18-24-10-4-1-5-11-24)41-38(28-22-31(45)32(46)23-33(28)50-41)42(53-36(49)20-26-14-8-3-9-15-26)40(37)52-35(48)19-25-12-6-2-7-13-25/h1-17,21-23,43-46H,18-20H2

> <INCHI_KEY>
ZJFAIHIWRLRNID-UHFFFAOYSA-N

> <FORMULA>
C42H30O11

> <MOLECULAR_WEIGHT>
710.691

> <EXACT_MASS>
710.178811786

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
83

> <JCHEM_AVERAGE_POLARIZABILITY>
73.18533763881311

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
5-(3,4-dihydroxyphenyl)-11,12-dihydroxy-3,6-bis[(2-phenylacetyl)oxy]-8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(13),2,4,6,9,11-hexaen-4-yl 2-phenylacetate

> <ALOGPS_LOGP>
6.54

> <JCHEM_LOGP>
7.909013554333333

> <ALOGPS_LOGS>
-4.60

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
7

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.020965170772932

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.350177376545409

> <JCHEM_PKA_STRONGEST_BASIC>
-2.964142730192544

> <JCHEM_POLAR_SURFACE_AREA>
172.95999999999998

> <JCHEM_REFRACTIVITY>
191.84950000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
13

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.77e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5-(3,4-dihydroxyphenyl)-11,12-dihydroxy-3,6-bis[(2-phenylacetyl)oxy]-8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(13),2,4,6,9,11-hexaen-4-yl phenylacetate

> <JCHEM_VEBER_RULE>
0

$$$$

     RDKit          3D

 83 89  0  0  0  0  0  0  0  0999 V2000
   -0.9795    2.6682    2.0722 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4448    2.6617    0.9234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1531    3.8115    0.3166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2669    5.0296    0.3613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3072    5.8842    1.4266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5049    7.0142    1.5384 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3747    7.2660    0.5008 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4404    6.4210   -0.5923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3849    5.2971   -0.6624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2801    1.5048    0.1759 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5932    0.4005    0.7296 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7871    0.3561    0.7418 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5160    1.4642    0.1912 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6467    1.5618   -1.1875 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    2.5935   -1.8047 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2769    4.4277    1.2116 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3030   -4.8225    3.3949 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5724   -5.3055    3.6550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7387   -6.5163    4.2783 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.2566   -2.8946    2.4146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8056   -1.7205    1.8099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3699   -0.6138    1.2506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7553   -0.5097    1.2044 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4058   -1.0809    0.0971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7137   -1.6519   -0.7688 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8760   -1.0194   -0.0577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2800   -1.7680   -1.2586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7245   -3.0705   -1.1248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1052   -3.7815   -2.2357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0568   -3.2303   -3.4912 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6136   -1.9358   -3.6120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2187   -1.1848   -2.5007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0189    4.0190    0.9856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4858    3.5556   -0.6862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0243    5.6386    2.2223 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5586    7.6763    2.4033 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0155    8.1461    0.5658 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1247    6.6155   -1.4018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3433    4.6200   -1.5236 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2162    0.7993   -1.8505 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4275    2.6980   -2.8545 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9683    5.3727   -1.0407 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7836    5.2399    0.9268 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9504    2.3269    2.0590 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0867   -2.3015    0.8508 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3474   -0.5469    0.6741 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8297    0.3385   -1.5758 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6985   -0.1084   -3.8467 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7689   -2.3370   -4.7293 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9698   -4.2358   -3.3822 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0813   -3.8290   -1.0761 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5783   -5.3877    3.6780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9505   -7.0834    4.5634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0543   -5.9600    4.0160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3751   -2.7764    2.3797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3892   -1.3859    0.8589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1830    0.0476   -0.1468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7592   -3.4973   -0.1327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4500   -4.7937   -2.1125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3569   -3.7791   -4.3965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5628   -1.4813   -4.5833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8835   -0.1801   -2.6908 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  2 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
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 16 18  1  0
 18 19  1  0
 18 20  2  0
 12 21  1  0
 21 22  1  0
 22 23  1  0
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 29 30  1  0
 30 31  2  0
 21 32  2  0
 32 33  1  0
 33 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  1  0
 36 38  2  0
 38 39  1  0
 38 40  1  0
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 51 52  1  0
 52 53  2  0
  9  4  1  0
 43 11  1  0
 53 48  1  0
 20 13  1  0
 31 26  1  0
 42 32  1  0
 41 34  1  0
  3 54  1  0
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  5 56  1  0
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 14 61  1  0
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 29 70  1  0
 30 71  1  0
 31 72  1  0
 35 73  1  0
 37 74  1  0
 39 75  1  0
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 47 77  1  0
 47 78  1  0
 49 79  1  0
 50 80  1  0
 51 81  1  0
 52 82  1  0
 53 83  1  0
M  END

HEADER    PROTEIN                                 01-JUL-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   01-JUL-21         0                                  
HETATM    1  O   UNK     0      -0.980   2.668   2.072  0.00  0.00           O+0
HETATM    2  C   UNK     0      -1.445   2.662   0.923  0.00  0.00           C+0
HETATM    3  C   UNK     0      -2.153   3.812   0.317  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.267   5.030   0.361  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.307   5.884   1.427  0.00  0.00           C+0
HETATM    6  C   UNK     0      -0.505   7.014   1.538  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.375   7.266   0.501  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.440   6.421  -0.592  0.00  0.00           C+0
HETATM    9  C   UNK     0      -0.385   5.297  -0.662  0.00  0.00           C+0
HETATM   10  O   UNK     0      -1.280   1.505   0.176  0.00  0.00           O+0
HETATM   11  C   UNK     0      -0.593   0.401   0.730  0.00  0.00           C+0
HETATM   12  C   UNK     0       0.787   0.356   0.742  0.00  0.00           C+0
HETATM   13  C   UNK     0       1.516   1.464   0.191  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.647   1.562  -1.188  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.310   2.594  -1.805  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.878   3.590  -1.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       3.555   4.646  -1.593  0.00  0.00           O+0
HETATM   18  C   UNK     0       2.739   3.479   0.382  0.00  0.00           C+0
HETATM   19  O   UNK     0       3.277   4.428   1.212  0.00  0.00           O+0
HETATM   20  C   UNK     0       2.070   2.435   0.992  0.00  0.00           C+0
HETATM   21  C   UNK     0       1.346  -0.766   1.307  0.00  0.00           C+0
HETATM   22  O   UNK     0       2.698  -0.896   1.365  0.00  0.00           O+0
HETATM   23  C   UNK     0       3.394  -1.246   0.212  0.00  0.00           C+0
HETATM   24  O   UNK     0       2.794  -1.442  -0.878  0.00  0.00           O+0
HETATM   25  C   UNK     0       4.870  -1.405   0.199  0.00  0.00           C+0
HETATM   26  C   UNK     0       5.386  -1.718  -1.148  0.00  0.00           C+0
HETATM   27  C   UNK     0       5.847  -0.684  -1.947  0.00  0.00           C+0
HETATM   28  C   UNK     0       6.333  -0.918  -3.210  0.00  0.00           C+0
HETATM   29  C   UNK     0       6.375  -2.205  -3.723  0.00  0.00           C+0
HETATM   30  C   UNK     0       5.922  -3.249  -2.946  0.00  0.00           C+0
HETATM   31  C   UNK     0       5.439  -2.987  -1.683  0.00  0.00           C+0
HETATM   32  C   UNK     0       0.577  -1.791   1.835  0.00  0.00           C+0
HETATM   33  O   UNK     0       0.934  -2.910   2.404  0.00  0.00           O+0
HETATM   34  C   UNK     0      -0.123  -3.596   2.764  0.00  0.00           C+0
HETATM   35  C   UNK     0      -0.303  -4.822   3.395  0.00  0.00           C+0
HETATM   36  C   UNK     0      -1.572  -5.306   3.655  0.00  0.00           C+0
HETATM   37  O   UNK     0      -1.739  -6.516   4.278  0.00  0.00           O+0
HETATM   38  C   UNK     0      -2.682  -4.574   3.291  0.00  0.00           C+0
HETATM   39  O   UNK     0      -3.929  -5.086   3.566  0.00  0.00           O+0
HETATM   40  C   UNK     0      -2.516  -3.346   2.659  0.00  0.00           C+0
HETATM   41  C   UNK     0      -1.257  -2.895   2.415  0.00  0.00           C+0
HETATM   42  C   UNK     0      -0.806  -1.720   1.810  0.00  0.00           C+0
HETATM   43  C   UNK     0      -1.370  -0.614   1.251  0.00  0.00           C+0
HETATM   44  O   UNK     0      -2.755  -0.510   1.204  0.00  0.00           O+0
HETATM   45  C   UNK     0      -3.406  -1.081   0.097  0.00  0.00           C+0
HETATM   46  O   UNK     0      -2.714  -1.652  -0.769  0.00  0.00           O+0
HETATM   47  C   UNK     0      -4.876  -1.019  -0.058  0.00  0.00           C+0
HETATM   48  C   UNK     0      -5.280  -1.768  -1.259  0.00  0.00           C+0
HETATM   49  C   UNK     0      -5.724  -3.071  -1.125  0.00  0.00           C+0
HETATM   50  C   UNK     0      -6.105  -3.781  -2.236  0.00  0.00           C+0
HETATM   51  C   UNK     0      -6.057  -3.230  -3.491  0.00  0.00           C+0
HETATM   52  C   UNK     0      -5.614  -1.936  -3.612  0.00  0.00           C+0
HETATM   53  C   UNK     0      -5.219  -1.185  -2.501  0.00  0.00           C+0
HETATM   54  H   UNK     0      -3.019   4.019   0.986  0.00  0.00           H+0
HETATM   55  H   UNK     0      -2.486   3.556  -0.686  0.00  0.00           H+0
HETATM   56  H   UNK     0      -2.024   5.639   2.222  0.00  0.00           H+0
HETATM   57  H   UNK     0      -0.559   7.676   2.403  0.00  0.00           H+0
HETATM   58  H   UNK     0       1.016   8.146   0.566  0.00  0.00           H+0
HETATM   59  H   UNK     0       1.125   6.615  -1.402  0.00  0.00           H+0
HETATM   60  H   UNK     0      -0.343   4.620  -1.524  0.00  0.00           H+0
HETATM   61  H   UNK     0       1.216   0.799  -1.851  0.00  0.00           H+0
HETATM   62  H   UNK     0       2.428   2.698  -2.854  0.00  0.00           H+0
HETATM   63  H   UNK     0       3.968   5.373  -1.041  0.00  0.00           H+0
HETATM   64  H   UNK     0       3.784   5.240   0.927  0.00  0.00           H+0
HETATM   65  H   UNK     0       1.950   2.327   2.059  0.00  0.00           H+0
HETATM   66  H   UNK     0       5.087  -2.301   0.851  0.00  0.00           H+0
HETATM   67  H   UNK     0       5.347  -0.547   0.674  0.00  0.00           H+0
HETATM   68  H   UNK     0       5.830   0.339  -1.576  0.00  0.00           H+0
HETATM   69  H   UNK     0       6.699  -0.108  -3.847  0.00  0.00           H+0
HETATM   70  H   UNK     0       6.769  -2.337  -4.729  0.00  0.00           H+0
HETATM   71  H   UNK     0       5.970  -4.236  -3.382  0.00  0.00           H+0
HETATM   72  H   UNK     0       5.081  -3.829  -1.076  0.00  0.00           H+0
HETATM   73  H   UNK     0       0.578  -5.388   3.678  0.00  0.00           H+0
HETATM   74  H   UNK     0      -0.951  -7.083   4.563  0.00  0.00           H+0
HETATM   75  H   UNK     0      -4.054  -5.960   4.016  0.00  0.00           H+0
HETATM   76  H   UNK     0      -3.375  -2.776   2.380  0.00  0.00           H+0
HETATM   77  H   UNK     0      -5.389  -1.386   0.859  0.00  0.00           H+0
HETATM   78  H   UNK     0      -5.183   0.048  -0.147  0.00  0.00           H+0
HETATM   79  H   UNK     0      -5.759  -3.497  -0.133  0.00  0.00           H+0
HETATM   80  H   UNK     0      -6.450  -4.794  -2.112  0.00  0.00           H+0
HETATM   81  H   UNK     0      -6.357  -3.779  -4.396  0.00  0.00           H+0
HETATM   82  H   UNK     0      -5.563  -1.481  -4.583  0.00  0.00           H+0
HETATM   83  H   UNK     0      -4.883  -0.180  -2.691  0.00  0.00           H+0
CONECT    1    2                                                            
CONECT    2    1    3   10                                                  
CONECT    3    2    4   54   55                                             
CONECT    4    3    5    9                                                  
CONECT    5    4    6   56                                                  
CONECT    6    5    7   57                                                  
CONECT    7    6    8   58                                                  
CONECT    8    7    9   59                                                  
CONECT    9    8    4   60                                                  
CONECT   10    2   11                                                       
CONECT   11   10   12   43                                                  
CONECT   12   11   13   21                                                  
CONECT   13   12   14   20                                                  
CONECT   14   13   15   61                                                  
CONECT   15   14   16   62                                                  
CONECT   16   15   17   18                                                  
CONECT   17   16   63                                                       
CONECT   18   16   19   20                                                  
CONECT   19   18   64                                                       
CONECT   20   18   13   65                                                  
CONECT   21   12   22   32                                                  
CONECT   22   21   23                                                       
CONECT   23   22   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   26   66   67                                             
CONECT   26   25   27   31                                                  
CONECT   27   26   28   68                                                  
CONECT   28   27   29   69                                                  
CONECT   29   28   30   70                                                  
CONECT   30   29   31   71                                                  
CONECT   31   30   26   72                                                  
CONECT   32   21   33   42                                                  
CONECT   33   32   34                                                       
CONECT   34   33   35   41                                                  
CONECT   35   34   36   73                                                  
CONECT   36   35   37   38                                                  
CONECT   37   36   74                                                       
CONECT   38   36   39   40                                                  
CONECT   39   38   75                                                       
CONECT   40   38   41   76                                                  
CONECT   41   40   42   34                                                  
CONECT   42   41   43   32                                                  
CONECT   43   42   44   11                                                  
CONECT   44   43   45                                                       
CONECT   45   44   46   47                                                  
CONECT   46   45                                                            
CONECT   47   45   48   77   78                                             
CONECT   48   47   49   53                                                  
CONECT   49   48   50   79                                                  
CONECT   50   49   51   80                                                  
CONECT   51   50   52   81                                                  
CONECT   52   51   53   82                                                  
CONECT   53   52   48   83                                                  
CONECT   54    3                                                            
CONECT   55    3                                                            
CONECT   56    5                                                            
CONECT   57    6                                                            
CONECT   58    7                                                            
CONECT   59    8                                                            
CONECT   60    9                                                            
CONECT   61   14                                                            
CONECT   62   15                                                            
CONECT   63   17                                                            
CONECT   64   19                                                            
CONECT   65   20                                                            
CONECT   66   25                                                            
CONECT   67   25                                                            
CONECT   68   27                                                            
CONECT   69   28                                                            
CONECT   70   29                                                            
CONECT   71   30                                                            
CONECT   72   31                                                            
CONECT   73   35                                                            
CONECT   74   37                                                            
CONECT   75   39                                                            
CONECT   76   40                                                            
CONECT   77   47                                                            
CONECT   78   47                                                            
CONECT   79   49                                                            
CONECT   80   50                                                            
CONECT   81   51                                                            
CONECT   82   52                                                            
CONECT   83   53                                                            
MASTER        0    0    0    0    0    0    0    0   83    0  178    0
END

RDKit          3D

83 89  0  0  0  0  0  0  0  0999 V2000
   -0.9795    2.6682    2.0722 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4448    2.6617    0.9234 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.2669    5.0296    0.3613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3072    5.8842    1.4266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5049    7.0142    1.5384 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3747    7.2660    0.5008 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4404    6.4210   -0.5923 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5932    0.4005    0.7296 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7871    0.3561    0.7418 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5160    1.4642    0.1912 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6467    1.5618   -1.1875 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    2.5935   -1.8047 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8776    3.5897   -0.9997 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5548    4.6465   -1.5930 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6985   -0.1084   -3.8467 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7689   -2.3370   -4.7293 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9698   -4.2358   -3.3822 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0813   -3.8290   -1.0761 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5783   -5.3877    3.6780 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.8835   -0.1801   -2.6908 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

View in JSmol View NMR Assignments

Synonyms

Value	Source
5-(3,4-Dihydroxyphenyl)-11,12-dihydroxy-3,6-bis[(2-phenylacetyl)oxy]-8-oxatricyclo[7.4.0.0,]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl 2-phenylacetic acid	Generator

Chemical Formula

C₄₂H₃₀O₁₁

Average Mass

710.6910 Da

Monoisotopic Mass

710.17881 Da

IUPAC Name

5-(3,4-dihydroxyphenyl)-11,12-dihydroxy-3,6-bis[(2-phenylacetyl)oxy]-8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(13),2,4,6,9,11-hexaen-4-yl 2-phenylacetate

Traditional Name

5-(3,4-dihydroxyphenyl)-11,12-dihydroxy-3,6-bis[(2-phenylacetyl)oxy]-8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(13),2,4,6,9,11-hexaen-4-yl phenylacetate

CAS Registry Number

Not Available

SMILES

OC1=C(O)C=C(C=C1)C1=C(OC(=O)CC2=CC=CC=C2)C2=C(C3=CC(O)=C(O)C=C3O2)C(OC(=O)CC2=CC=CC=C2)=C1OC(=O)CC1=CC=CC=C1

InChI Identifier

InChI=1S/C42H30O11/c43-29-17-16-27(21-30(29)44)37-39(51-34(47)18-24-10-4-1-5-11-24)41-38(28-22-31(45)32(46)23-33(28)50-41)42(53-36(49)20-26-14-8-3-9-15-26)40(37)52-35(48)19-25-12-6-2-7-13-25/h1-17,21-23,43-46H,18-20H2

InChI Key

ZJFAIHIWRLRNID-UHFFFAOYSA-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

Species Name	Source	Reference
Thelephora terrestris	NPAtlas	15896375

Chemical Taxonomy

Description

This compound belongs to the class of organic compounds known as phenylbenzofurans. These are organic aromatic compounds that contain a phenyl group attached to a benzofuran moiety. Benzofuran is a bicyclic compound containing a benzene fused to a furan.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Benzofurans

Sub Class

Phenylbenzofurans

Direct Parent

Phenylbenzofurans

Alternative Parents

Substituents

Phenylbenzofuran
Dibenzofuran
Phenol ester
Tricarboxylic acid or derivatives
Catechol
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Phenol
Monocyclic benzene moiety
Benzenoid
Furan
Heteroaromatic compound
Carboxylic acid ester
Carboxylic acid derivative
Oxacycle
Hydrocarbon derivative
Organic oxide
Carbonyl group
Organic oxygen compound
Organooxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

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	6.54	ALOGPS
logP	7.91	ChemAxon
logS	-4.6	ALOGPS
pKa (Strongest Acidic)	8.35	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	172.96 Å²	ChemAxon
Rotatable Bond Count	13	ChemAxon
Refractivity	191.85 m³·mol⁻¹	ChemAxon
Polarizability	73.19 Å³	ChemAxon
Number of Rings	7	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

External Links

NPAtlas ID

NPA003955

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00035409

Chemspider ID

78434681

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

101743854

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Showing NP-Card for Terrestrin E (NP0005859)

MOL for NP0005859 (Terrestrin E)

3D MOL for NP0005859 (Terrestrin E)

3D SDF for NP0005859 (Terrestrin E)

3D-SDF for NP0005859 (Terrestrin E)

PDB for NP0005859 (Terrestrin E)

3D PDB for NP0005859 (Terrestrin E)

SMILES for NP0005859 (Terrestrin E)

INCHI for NP0005859 (Terrestrin E)

Structure for NP0005859 (Terrestrin E)

3D Structure for NP0005859 (Terrestrin E)