CHEBI:206776 - Poricoic acid L

ChEBI IDCHEBI:206776
ChEBI NamePoricoic acid L
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H46O7
Net Charge0
Average Mass530.702
Monoisotopic Mass530.32435
SMILESC=C(C)[C@@H]1CC=C2C(=CC[C@]3(C)[C@@H]([C@@H](CCC(=C)[C@@](C)(O)CO)C(=O)O)[C@H](O)C[C@@]23C)[C@@]1(C)CCC(=O)O
InChIInChI=1S/C31H46O7/c1-18(2)21-10-11-23-22(28(21,4)14-13-25(34)35)12-15-29(5)26(24(33)16-30(23,29)6)20(27(36)37)9-8-19(3)31(7,38)17-32/h11-12,20-21,24,26,32-33,38H,1,3,8-10,13-17H2,2,4-7H3,(H,34,35)(H,36,37)/t20-,21+,24-,26+,28+,29-,30+,31+/m1/s1
InChIKeyFSGAHYULPPRNPE-XIILMWTLSA-N
Species of MetaboliteComponentSourceComments
Wolfiporia cocos (ncbitaxon:81056) - PubMed (31180673)
ChEBI Ontology
Outgoing Relation(s)
Poricoic acid L (CHEBI:206776) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(2R,6R)-2-[(2R,3R,3aR,6S,7S,9bR)-6-(2-carboxyethyl)-2-hydroxy-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,7,8-hexahydrocyclopenta[a]naphthalen-3-yl]-6,7-dihydroxy-6-methyl-5-methylideneheptanoic acid