NP-MRD: Showing NP-Card for hydroxyplatensic acid (NP0038580)

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Record Information

Version

2.0

Created at

2021-06-20 21:13:59 UTC

Updated at

2021-06-30 00:11:26 UTC

NP-MRD ID

NP0038580

Secondary Accession Numbers

None

Natural Product Identification

Common Name

hydroxyplatensic acid

Provided By

JEOL Database JEOL Logo

Description

14-Hydroxyplatensic acid belongs to the class of organic compounds known as oxepanes. Oxepanes are compounds containing an oxepane ring, which is a seven-member saturated aliphatic heterocycle with one oxygen and six carbon atoms. 14-Hydroxyplatensic acid is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. hydroxyplatensic acid is found in Streptomyces platensis. hydroxyplatensic acid was first documented in 2009 (Singh, S. B., et al.). Based on a literature review very few articles have been published on 14-hydroxyplatensic acid.

Structure

MOL 3D MOL SDF 3D SDF PDB SMILES InChI


  Mrv1652306202123143D          

 44 47  0  0  0  0            999 V2000
   -1.2924    1.9671   -1.5478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9517    0.9218   -0.4736 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7141    1.3439    0.8226 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6635    0.3314    1.9744 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.0358    0.0726    2.5484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3737    0.4173    3.6710 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8617   -0.5898    1.7096 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5329   -0.4155   -0.9690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6404   -0.8229   -0.6112 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7376   -1.2369   -1.9153 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5639   -0.9984   -2.1229 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3617    0.0633   -1.4188 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8935    1.1450   -2.3802 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8106    1.9573   -1.4588 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9301    2.8723   -0.6194 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3908    1.8766    0.3910 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6445    1.2856    0.8233 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3281    0.9286   -0.4097 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8249    0.9500   -0.1846 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7290   -0.4320   -0.8428 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5147   -1.0857   -1.8355 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5673    0.6967   -0.2066 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9252    2.9605   -1.2809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3799    2.0550   -1.6698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9158    1.6964   -2.5362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3211    2.3032    1.1820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7621    1.5536    0.5664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2400   -0.6384    1.6951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0278    0.7219    2.7780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4741   -0.7875    0.8200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2633   -2.0407   -2.4187 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1010   -1.6222   -2.8373 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4743    0.7055   -3.2015 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1243    1.7614   -2.8475 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5846    2.4902   -2.0172 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1689    3.4029   -1.1919 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5587    3.6178   -0.1165 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9137    2.3479    1.2523 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3783    0.7446   -1.1058 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1438    1.9257    0.1982 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1126    0.2091    0.5691 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5840   -1.1195   -0.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2956   -1.4563   -1.3868 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6029   -0.0848    0.5702 H   0  0  0  0  0  0  0  0  0  0  0  0
 20 21  1  0  0  0  0
 18 19  1  1  0  0  0
 22  2  1  0  0  0  0
 11 10  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 17 18  1  0  0  0  0
  2  8  1  0  0  0  0
 10  8  1  0  0  0  0
 18 20  1  0  0  0  0
  8  9  2  0  0  0  0
 20 12  1  0  0  0  0
  2  1  1  6  0  0  0
 12 22  1  0  0  0  0
  2  3  1  0  0  0  0
 16 17  1  0  0  0  0
  3  4  1  0  0  0  0
 12 13  1  0  0  0  0
  4  5  1  0  0  0  0
 16 15  1  0  0  0  0
 22 16  1  0  0  0  0
 18 14  1  0  0  0  0
  5  6  2  0  0  0  0
 12 11  1  6  0  0  0
  5  7  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 14 35  1  6  0  0  0
 11 32  1  0  0  0  0
 20 42  1  1  0  0  0
 21 43  1  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
 19 41  1  0  0  0  0
 22 44  1  1  0  0  0
 10 31  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
 16 38  1  1  0  0  0
  7 30  1  0  0  0  0
M  END

     RDKit          3D

 44 47  0  0  0  0  0  0  0  0999 V2000
   -1.2924    1.9671   -1.5478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9517    0.9218   -0.4736 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7141    1.3439    0.8226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6635    0.3314    1.9744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0358    0.0726    2.5484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3737    0.4173    3.6710 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8617   -0.5898    1.7096 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5329   -0.4155   -0.9690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6404   -0.8229   -0.6112 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7376   -1.2369   -1.9153 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5639   -0.9984   -2.1229 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3617    0.0633   -1.4188 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8935    1.1450   -2.3802 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8106    1.9573   -1.4588 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9301    2.8723   -0.6194 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3908    1.8766    0.3910 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6445    1.2856    0.8233 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3281    0.9286   -0.4097 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8249    0.9500   -0.1846 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7290   -0.4320   -0.8428 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5147   -1.0857   -1.8355 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5673    0.6967   -0.2066 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9252    2.9605   -1.2809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3799    2.0550   -1.6698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9158    1.6964   -2.5362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3211    2.3032    1.1820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7621    1.5536    0.5664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2400   -0.6384    1.6951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0278    0.7219    2.7780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4741   -0.7875    0.8200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2633   -2.0407   -2.4187 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1010   -1.6222   -2.8373 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4743    0.7055   -3.2015 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1243    1.7614   -2.8475 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5846    2.4902   -2.0172 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1689    3.4029   -1.1919 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5587    3.6178   -0.1165 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9137    2.3479    1.2523 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3783    0.7446   -1.1058 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1438    1.9257    0.1982 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1126    0.2091    0.5691 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5840   -1.1195   -0.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2956   -1.4563   -1.3868 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6029   -0.0848    0.5702 H   0  0  0  0  0  0  0  0  0  0  0  0
 20 21  1  0
 18 19  1  1
 22  2  1  0
 11 10  2  0
 13 14  1  0
 14 15  1  0
 17 18  1  0
  2  8  1  0
 10  8  1  0
 18 20  1  0
  8  9  2  0
 20 12  1  0
  2  1  1  6
 12 22  1  0
  2  3  1  0
 16 17  1  0
  3  4  1  0
 12 13  1  0
  4  5  1  0
 16 15  1  0
 22 16  1  0
 18 14  1  0
  5  6  2  0
 12 11  1  6
  5  7  1  0
 13 33  1  0
 13 34  1  0
 15 36  1  0
 15 37  1  0
 14 35  1  6
 11 32  1  0
 20 42  1  1
 21 43  1  0
 19 39  1  0
 19 40  1  0
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 22 44  1  1
 10 31  1  0
  1 23  1  0
  1 24  1  0
  1 25  1  0
  3 26  1  0
  3 27  1  0
  4 28  1  0
  4 29  1  0
 16 38  1  1
  7 30  1  0
M  END


  Mrv1652306202123143D          

 44 47  0  0  0  0            999 V2000
   -1.2924    1.9671   -1.5478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9517    0.9218   -0.4736 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7141    1.3439    0.8226 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6635    0.3314    1.9744 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.0358    0.0726    2.5484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3737    0.4173    3.6710 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8617   -0.5898    1.7096 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5329   -0.4155   -0.9690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6404   -0.8229   -0.6112 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7376   -1.2369   -1.9153 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5639   -0.9984   -2.1229 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3617    0.0633   -1.4188 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8935    1.1450   -2.3802 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8106    1.9573   -1.4588 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9301    2.8723   -0.6194 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3908    1.8766    0.3910 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6445    1.2856    0.8233 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3281    0.9286   -0.4097 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8249    0.9500   -0.1846 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7290   -0.4320   -0.8428 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5147   -1.0857   -1.8355 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5673    0.6967   -0.2066 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9252    2.9605   -1.2809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3799    2.0550   -1.6698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9158    1.6964   -2.5362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3211    2.3032    1.1820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7621    1.5536    0.5664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2400   -0.6384    1.6951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0278    0.7219    2.7780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4741   -0.7875    0.8200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2633   -2.0407   -2.4187 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1010   -1.6222   -2.8373 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4743    0.7055   -3.2015 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1243    1.7614   -2.8475 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5846    2.4902   -2.0172 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1689    3.4029   -1.1919 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5587    3.6178   -0.1165 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9137    2.3479    1.2523 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3783    0.7446   -1.1058 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1438    1.9257    0.1982 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1126    0.2091    0.5691 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5840   -1.1195   -0.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2956   -1.4563   -1.3868 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6029   -0.0848    0.5702 H   0  0  0  0  0  0  0  0  0  0  0  0
 20 21  1  0  0  0  0
 18 19  1  1  0  0  0
 22  2  1  0  0  0  0
 11 10  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 17 18  1  0  0  0  0
  2  8  1  0  0  0  0
 10  8  1  0  0  0  0
 18 20  1  0  0  0  0
  8  9  2  0  0  0  0
 20 12  1  0  0  0  0
  2  1  1  6  0  0  0
 12 22  1  0  0  0  0
  2  3  1  0  0  0  0
 16 17  1  0  0  0  0
  3  4  1  0  0  0  0
 12 13  1  0  0  0  0
  4  5  1  0  0  0  0
 16 15  1  0  0  0  0
 22 16  1  0  0  0  0
 18 14  1  0  0  0  0
  5  6  2  0  0  0  0
 12 11  1  6  0  0  0
  5  7  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 14 35  1  6  0  0  0
 11 32  1  0  0  0  0
 20 42  1  1  0  0  0
 21 43  1  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
 19 41  1  0  0  0  0
 22 44  1  1  0  0  0
 10 31  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
 16 38  1  1  0  0  0
  7 30  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0038580

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]OC(=O)C([H])([H])C([H])([H])[C@@]1(C(=O)C([H])=C([H])[C@]23C([H])([H])[C@@]4([H])C([H])([H])[C@]([H])(O[C@@]4(C([H])([H])[H])[C@]2([H])O[H])[C@@]13[H])C([H])([H])[H]

> <INCHI_IDENTIFIER>
InChI=1S/C17H22O5/c1-15(5-4-12(19)20)11(18)3-6-17-8-9-7-10(13(15)17)22-16(9,2)14(17)21/h3,6,9-10,13-14,21H,4-5,7-8H2,1-2H3,(H,19,20)/t9-,10+,13+,14+,15-,16-,17-/m1/s1

> <INCHI_KEY>
TVMUTJRGKLRTET-IOXDDUNPSA-N

> <FORMULA>
C17H22O5

> <MOLECULAR_WEIGHT>
306.358

> <EXACT_MASS>
306.146723808

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
44

> <JCHEM_AVERAGE_POLARIZABILITY>
31.582574100700924

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
3-[(1S,5S,6R,7S,9R,10S,12R)-12-hydroxy-5,9-dimethyl-4-oxo-8-oxatetracyclo[7.2.1.1^{7,10}.0^{1,6}]tridec-2-en-5-yl]propanoic acid

> <ALOGPS_LOGP>
1.22

> <JCHEM_LOGP>
1.1824583329999994

> <ALOGPS_LOGS>
-2.33

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
13.538740646073286

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.343418870420296

> <JCHEM_PKA_STRONGEST_BASIC>
-3.437955108911911

> <JCHEM_POLAR_SURFACE_AREA>
83.83

> <JCHEM_REFRACTIVITY>
78.5227

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.42e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3-[(1S,5S,6R,7S,9R,10S,12R)-12-hydroxy-5,9-dimethyl-4-oxo-8-oxatetracyclo[7.2.1.1^{7,10}.0^{1,6}]tridec-2-en-5-yl]propanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

     RDKit          3D

 44 47  0  0  0  0  0  0  0  0999 V2000
   -1.2924    1.9671   -1.5478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9517    0.9218   -0.4736 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7141    1.3439    0.8226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6635    0.3314    1.9744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0358    0.0726    2.5484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3737    0.4173    3.6710 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8617   -0.5898    1.7096 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5329   -0.4155   -0.9690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6404   -0.8229   -0.6112 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7376   -1.2369   -1.9153 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5639   -0.9984   -2.1229 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3617    0.0633   -1.4188 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8935    1.1450   -2.3802 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8106    1.9573   -1.4588 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9301    2.8723   -0.6194 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3908    1.8766    0.3910 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6445    1.2856    0.8233 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3281    0.9286   -0.4097 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8249    0.9500   -0.1846 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7290   -0.4320   -0.8428 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5147   -1.0857   -1.8355 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5673    0.6967   -0.2066 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9252    2.9605   -1.2809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3799    2.0550   -1.6698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9158    1.6964   -2.5362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3211    2.3032    1.1820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7621    1.5536    0.5664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2400   -0.6384    1.6951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0278    0.7219    2.7780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4741   -0.7875    0.8200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2633   -2.0407   -2.4187 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1010   -1.6222   -2.8373 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4743    0.7055   -3.2015 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1243    1.7614   -2.8475 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5846    2.4902   -2.0172 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1689    3.4029   -1.1919 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5587    3.6178   -0.1165 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9137    2.3479    1.2523 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3783    0.7446   -1.1058 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1438    1.9257    0.1982 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1126    0.2091    0.5691 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5840   -1.1195   -0.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2956   -1.4563   -1.3868 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6029   -0.0848    0.5702 H   0  0  0  0  0  0  0  0  0  0  0  0
 20 21  1  0
 18 19  1  1
 22  2  1  0
 11 10  2  0
 13 14  1  0
 14 15  1  0
 17 18  1  0
  2  8  1  0
 10  8  1  0
 18 20  1  0
  8  9  2  0
 20 12  1  0
  2  1  1  6
 12 22  1  0
  2  3  1  0
 16 17  1  0
  3  4  1  0
 12 13  1  0
  4  5  1  0
 16 15  1  0
 22 16  1  0
 18 14  1  0
  5  6  2  0
 12 11  1  6
  5  7  1  0
 13 33  1  0
 13 34  1  0
 15 36  1  0
 15 37  1  0
 14 35  1  6
 11 32  1  0
 20 42  1  1
 21 43  1  0
 19 39  1  0
 19 40  1  0
 19 41  1  0
 22 44  1  1
 10 31  1  0
  1 23  1  0
  1 24  1  0
  1 25  1  0
  3 26  1  0
  3 27  1  0
  4 28  1  0
  4 29  1  0
 16 38  1  1
  7 30  1  0
M  END

HEADER    PROTEIN                                 20-JUN-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   20-JUN-21         0                                  
HETATM    1  C   UNK     0      -1.292   1.967  -1.548  0.00  0.00           C+0
HETATM    2  C   UNK     0      -0.952   0.922  -0.474  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.714   1.344   0.823  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.664   0.331   1.974  0.00  0.00           C+0
HETATM    5  C   UNK     0      -3.036   0.073   2.548  0.00  0.00           C+0
HETATM    6  O   UNK     0      -3.374   0.417   3.671  0.00  0.00           O+0
HETATM    7  O   UNK     0      -3.862  -0.590   1.710  0.00  0.00           O+0
HETATM    8  C   UNK     0      -1.533  -0.416  -0.969  0.00  0.00           C+0
HETATM    9  O   UNK     0      -2.640  -0.823  -0.611  0.00  0.00           O+0
HETATM   10  C   UNK     0      -0.738  -1.237  -1.915  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.564  -0.998  -2.123  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.362   0.063  -1.419  0.00  0.00           C+0
HETATM   13  C   UNK     0       1.894   1.145  -2.380  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.811   1.957  -1.459  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.930   2.872  -0.619  0.00  0.00           C+0
HETATM   16  C   UNK     0       1.391   1.877   0.391  0.00  0.00           C+0
HETATM   17  O   UNK     0       2.644   1.286   0.823  0.00  0.00           O+0
HETATM   18  C   UNK     0       3.328   0.929  -0.410  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.825   0.950  -0.185  0.00  0.00           C+0
HETATM   20  C   UNK     0       2.729  -0.432  -0.843  0.00  0.00           C+0
HETATM   21  O   UNK     0       3.515  -1.086  -1.835  0.00  0.00           O+0
HETATM   22  C   UNK     0       0.567   0.697  -0.207  0.00  0.00           C+0
HETATM   23  H   UNK     0      -0.925   2.961  -1.281  0.00  0.00           H+0
HETATM   24  H   UNK     0      -2.380   2.055  -1.670  0.00  0.00           H+0
HETATM   25  H   UNK     0      -0.916   1.696  -2.536  0.00  0.00           H+0
HETATM   26  H   UNK     0      -1.321   2.303   1.182  0.00  0.00           H+0
HETATM   27  H   UNK     0      -2.762   1.554   0.566  0.00  0.00           H+0
HETATM   28  H   UNK     0      -1.240  -0.638   1.695  0.00  0.00           H+0
HETATM   29  H   UNK     0      -1.028   0.722   2.778  0.00  0.00           H+0
HETATM   30  H   UNK     0      -3.474  -0.788   0.820  0.00  0.00           H+0
HETATM   31  H   UNK     0      -1.263  -2.041  -2.419  0.00  0.00           H+0
HETATM   32  H   UNK     0       1.101  -1.622  -2.837  0.00  0.00           H+0
HETATM   33  H   UNK     0       2.474   0.706  -3.201  0.00  0.00           H+0
HETATM   34  H   UNK     0       1.124   1.761  -2.848  0.00  0.00           H+0
HETATM   35  H   UNK     0       3.585   2.490  -2.017  0.00  0.00           H+0
HETATM   36  H   UNK     0       1.169   3.403  -1.192  0.00  0.00           H+0
HETATM   37  H   UNK     0       2.559   3.618  -0.117  0.00  0.00           H+0
HETATM   38  H   UNK     0       0.914   2.348   1.252  0.00  0.00           H+0
HETATM   39  H   UNK     0       5.378   0.745  -1.106  0.00  0.00           H+0
HETATM   40  H   UNK     0       5.144   1.926   0.198  0.00  0.00           H+0
HETATM   41  H   UNK     0       5.113   0.209   0.569  0.00  0.00           H+0
HETATM   42  H   UNK     0       2.584  -1.119  -0.001  0.00  0.00           H+0
HETATM   43  H   UNK     0       4.296  -1.456  -1.387  0.00  0.00           H+0
HETATM   44  H   UNK     0       0.603  -0.085   0.570  0.00  0.00           H+0
CONECT    1    2   23   24   25                                             
CONECT    2   22    8    1    3                                             
CONECT    3    2    4   26   27                                             
CONECT    4    3    5   28   29                                             
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5   30                                                       
CONECT    8    2   10    9                                                  
CONECT    9    8                                                            
CONECT   10   11    8   31                                                  
CONECT   11   10   12   32                                                  
CONECT   12   20   22   13   11                                             
CONECT   13   14   12   33   34                                             
CONECT   14   13   15   18   35                                             
CONECT   15   14   16   36   37                                             
CONECT   16   17   15   22   38                                             
CONECT   17   18   16                                                       
CONECT   18   19   17   20   14                                             
CONECT   19   18   39   40   41                                             
CONECT   20   21   18   12   42                                             
CONECT   21   20   43                                                       
CONECT   22    2   12   16   44                                             
CONECT   23    1                                                            
CONECT   24    1                                                            
CONECT   25    1                                                            
CONECT   26    3                                                            
CONECT   27    3                                                            
CONECT   28    4                                                            
CONECT   29    4                                                            
CONECT   30    7                                                            
CONECT   31   10                                                            
CONECT   32   11                                                            
CONECT   33   13                                                            
CONECT   34   13                                                            
CONECT   35   14                                                            
CONECT   36   15                                                            
CONECT   37   15                                                            
CONECT   38   16                                                            
CONECT   39   19                                                            
CONECT   40   19                                                            
CONECT   41   19                                                            
CONECT   42   20                                                            
CONECT   43   21                                                            
CONECT   44   22                                                            
MASTER        0    0    0    0    0    0    0    0   44    0   94    0
END

RDKit          3D

44 47  0  0  0  0  0  0  0  0999 V2000
   -1.2924    1.9671   -1.5478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9517    0.9218   -0.4736 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7141    1.3439    0.8226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6635    0.3314    1.9744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0358    0.0726    2.5484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3737    0.4173    3.6710 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8617   -0.5898    1.7096 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5329   -0.4155   -0.9690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6404   -0.8229   -0.6112 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7376   -1.2369   -1.9153 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5639   -0.9984   -2.1229 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3617    0.0633   -1.4188 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8935    1.1450   -2.3802 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8106    1.9573   -1.4588 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9301    2.8723   -0.6194 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3908    1.8766    0.3910 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6445    1.2856    0.8233 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3281    0.9286   -0.4097 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8249    0.9500   -0.1846 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7290   -0.4320   -0.8428 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5147   -1.0857   -1.8355 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5673    0.6967   -0.2066 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9252    2.9605   -1.2809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3799    2.0550   -1.6698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9158    1.6964   -2.5362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3211    2.3032    1.1820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7621    1.5536    0.5664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2400   -0.6384    1.6951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0278    0.7219    2.7780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4741   -0.7875    0.8200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2633   -2.0407   -2.4187 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1010   -1.6222   -2.8373 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4743    0.7055   -3.2015 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1243    1.7614   -2.8475 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5846    2.4902   -2.0172 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1689    3.4029   -1.1919 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5587    3.6178   -0.1165 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9137    2.3479    1.2523 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3783    0.7446   -1.1058 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1438    1.9257    0.1982 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1126    0.2091    0.5691 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5840   -1.1195   -0.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2956   -1.4563   -1.3868 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6029   -0.0848    0.5702 H   0  0  0  0  0  0  0  0  0  0  0  0
 20 21  1  0
 18 19  1  1
 22  2  1  0
 11 10  2  0
 13 14  1  0
 14 15  1  0
 17 18  1  0
  2  8  1  0
 10  8  1  0
 18 20  1  0
  8  9  2  0
 20 12  1  0
  2  1  1  6
 12 22  1  0
  2  3  1  0
 16 17  1  0
  3  4  1  0
 12 13  1  0
  4  5  1  0
 16 15  1  0
 22 16  1  0
 18 14  1  0
  5  6  2  0
 12 11  1  6
  5  7  1  0
 13 33  1  0
 13 34  1  0
 15 36  1  0
 15 37  1  0
 14 35  1  6
 11 32  1  0
 20 42  1  1
 21 43  1  0
 19 39  1  0
 19 40  1  0
 19 41  1  0
 22 44  1  1
 10 31  1  0
  1 23  1  0
  1 24  1  0
  1 25  1  0
  3 26  1  0
  3 27  1  0
  4 28  1  0
  4 29  1  0
 16 38  1  1
  7 30  1  0
M  END

View in JSmol

Synonyms

Value	Source
14-Hydroxyplatensate	Generator

Chemical Formula

C₁₇H₂₂O₅

Average Mass

306.3580 Da

Monoisotopic Mass

306.14672 Da

IUPAC Name

3-[(1S,5S,6R,7S,9R,10S,12R)-12-hydroxy-5,9-dimethyl-4-oxo-8-oxatetracyclo[7.2.1.1^{7,10}.0^{1,6}]tridec-2-en-5-yl]propanoic acid

Traditional Name

3-[(1S,5S,6R,7S,9R,10S,12R)-12-hydroxy-5,9-dimethyl-4-oxo-8-oxatetracyclo[7.2.1.1^{7,10}.0^{1,6}]tridec-2-en-5-yl]propanoic acid

CAS Registry Number

Not Available

SMILES

[H]OC(=O)C([H])([H])C([H])([H])[C@@]1(C(=O)C([H])=C([H])[C@]23C([H])([H])[C@@]4([H])C([H])([H])[C@]([H])(O[C@@]4(C([H])([H])[H])[C@]2([H])O[H])[C@@]13[H])C([H])([H])[H]

InChI Identifier

InChI=1S/C17H22O5/c1-15(5-4-12(19)20)11(18)3-6-17-8-9-7-10(13(15)17)22-16(9,2)14(17)21/h3,6,9-10,13-14,21H,4-5,7-8H2,1-2H3,(H,19,20)/t9-,10+,13+,14+,15-,16-,17-/m1/s1

InChI Key

TVMUTJRGKLRTET-IOXDDUNPSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, C₅D₅N, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, C₅D₅N, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, C₅D₅N, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, C₅D₅N, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, C₅D₅N, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, C₅D₅N, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, C₅D₅N, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, C₅D₅N, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, C₅D₅N, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, C₅D₅N, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, C₅D₅N, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, C₅D₅N, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, C₅D₅N, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, C₅D₅N, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, C₅D₅N, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, C₅D₅N, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, C₅D₅N, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, C₅D₅N, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, C₅D₅N, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, C₅D₅N, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Streptomyces platensis	JEOL database	Singh, S. B., et al, Tetrahedron Lett. 50, 5182 (2009)

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as oxepanes. Oxepanes are compounds containing an oxepane ring, which is a seven-member saturated aliphatic heterocycle with one oxygen and six carbon atoms.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Oxepanes

Sub Class

Not Available

Direct Parent

Oxepanes

Alternative Parents

Substituents

Cyclohexenone
Oxepane
Oxane
Cyclic alcohol
Tetrahydrofuran
Ketone
Secondary alcohol
Cyclic ketone
Monocarboxylic acid or derivatives
Ether
Dialkyl ether
Carboxylic acid
Carboxylic acid derivative
Oxacycle
Hydrocarbon derivative
Organic oxide
Organooxygen compound
Alcohol
Organic oxygen compound
Carbonyl group
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic heteropolycyclic compounds

External Descriptors

cyclic ketone (CHEBI:68258 )
monocarboxylic acid (CHEBI:68258 )
secondary alcohol (CHEBI:68258 )
cyclic ether (CHEBI:68258 )
polycyclic cage (CHEBI:68258 )

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	1.22	ALOGPS
logP	1.18	ChemAxon
logS	-2.3	ALOGPS
pKa (Strongest Acidic)	4.34	ChemAxon
pKa (Strongest Basic)	-3.4	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	83.83 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	78.52 m³·mol⁻¹	ChemAxon
Polarizability	31.58 Å³	ChemAxon
Number of Rings	4	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

29368004

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

68258

Good Scents ID

Not Available

References

General References

Singh, S. B., et al. (2009). Singh, S. B., et al, Tetrahedron Lett. 50, 5182 (2009). Tetrahedron Lett.

Showing NP-Card for hydroxyplatensic acid (NP0038580)

MOL for NP0038580 (hydroxyplatensic acid)

3D MOL for NP0038580 (hydroxyplatensic acid)

3D SDF for NP0038580 (hydroxyplatensic acid)

3D-SDF for NP0038580 (hydroxyplatensic acid)

PDB for NP0038580 (hydroxyplatensic acid)

3D PDB for NP0038580 (hydroxyplatensic acid)

SMILES for NP0038580 (hydroxyplatensic acid)

INCHI for NP0038580 (hydroxyplatensic acid)

Structure for NP0038580 (hydroxyplatensic acid)

3D Structure for NP0038580 (hydroxyplatensic acid)