CHEBI:206461 - Poricoic acid GM

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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 Poricoic acid GM
ChEBI ID CHEBI:206461
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C31H48O5
Net Charge 0
Average Mass 500.720
Monoisotopic Mass 500.35017
InChI InChI=1S/C31H48O5/c1-19(2)10-9-11-21(28(34)35)27-25(32)18-31(7)24-13-12-22(20(3)4)29(5,16-15-26(33)36-8)23(24)14-17-30(27,31)6/h10,21-22,25,27,32H,3,9,11-18H2,1-2,4-8H3,(H,34,35)/t21?,22-,25+,27-,29-,30+,31-/m0/s1
InChIKey UGVHLNKATMYQSO-KGXQETAESA-N
SMILES O=C(O)C([C@@H]1[C@@]2([C@@](C3=C([C@]([C@H](C(=C)C)CC3)(CCC(=O)OC)C)CC2)(C)C[C@H]1O)C)CCC=C(C)C
Metabolite of Species Details
Wolfiporia cocos (NCBI:txid81056) See: PubMed
ChEBI Ontology
Outgoing Poricoic acid GM (CHEBI:206461) is a triterpenoid (CHEBI:36615)
IUPAC Name
2-[(2R,3R,3aR,6S,7S,9bR)-2-hydroxy-6-(3-methoxy-3-oxopropyl)-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,5,7,8,9-octahydrocyclopenta[a]naphthalen-3-yl]-6-methylhept-5-enoic acid
Manual Xref Database
78437315 ChemSpider
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