CHEBI:211788 - 2-Hydroxycyslabdan A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 2-Hydroxycyslabdan A
ChEBI ID CHEBI:211788
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H41NO6S
Net Charge 0
Average Mass 483.660
Monoisotopic Mass 483.26546
InChI InChI=1S/C25H41NO6S/c1-7-15(2)8-9-19-24(6)12-17(28)11-23(4,5)20(24)10-21(29)25(19,32)14-33-13-18(22(30)31)26-16(3)27/h7-8,17-21,28-29,32H,1,9-14H2,2-6H3,(H,26,27)(H,30,31)/b15-8+/t17-,18-,19+,20-,21-,24+,25+/m0/s1
InChIKey PTRRHQHGAOYEKT-KYXZTKSHSA-N
SMILES S(C[C@]1(O)[C@@H](O)C[C@H]2C(C[C@@H](C[C@@]2([C@H]1C/C=C(/C=C)\C)C)O)(C)C)C[C@H](NC(=O)C)C(=O)O
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing 2-Hydroxycyslabdan A (CHEBI:211788) is a diterpenoid (CHEBI:23849)
IUPAC Name
(2R)-3-[[(1R,2R,3S,4aS,7S,8aS)-2,3,7-trihydroxy-5,5,8a-trimethyl-1-[(2E)-3-methylpenta-2,4-dienyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-yl]methylsulanyl]-2-acetamidopropanoic acid