CHEBI:206970 - Forpinic acid C

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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 Forpinic acid C
ChEBI ID CHEBI:206970
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C31H46O5
Net Charge 0
Average Mass 498.704
Monoisotopic Mass 498.33452
InChI InChI=1S/C31H46O5/c1-17(2)18(3)9-10-19(27(35)36)25-22(33)16-31(8)26-20(11-14-30(25,31)7)29(6)13-12-24(34)28(4,5)23(29)15-21(26)32/h17,19,22-23,25,33H,3,9-16H2,1-2,4-8H3,(H,35,36)/t19-,22-,23+,25+,29-,30-,31+/m1/s1
InChIKey HQFKTWBTDSANPB-IMOFTLGFSA-N
SMILES O=C1C2=C([C@]3(CCC(C([C@@H]3C1)(C)C)=O)C)CC[C@]4([C@]2(C[C@@H](O)[C@@H]4[C@H](C(=O)O)CCC(=C)C(C)C)C)C
Metabolite of Species Details
Fomitopsis (NCBI:txid34474) See: PubMed
ChEBI Ontology
Outgoing Forpinic acid C (CHEBI:206970) is a triterpenoid (CHEBI:36615)
IUPAC Name
(2R)-2-[(5R,10S,13R,14R,16R,17R)-16-hydroxy-4,4,10,13,14-pentamethyl-3,7-dioxo-2,5,6,11,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoic acid