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CHEBI:219743 - Poricoic acid CM

Default Structure
ChEBI IDCHEBI:219743
ChEBI NamePoricoic acid CM
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H48O4
Net Charge0
Average Mass496.732
Monoisotopic Mass496.35526
SMILESC=C(CCC(C(=O)O)[C@H]1CC[C@@]2(C)C3=CC[C@@H](C(=C)C)[C@](C)(CCC(=O)OC)C3=CC[C@]12C)C(C)C
InChIInChI=1S/C32H48O4/c1-20(2)22(5)10-11-23(29(34)35)25-14-18-32(8)27-13-12-24(21(3)4)30(6,17-16-28(33)36-9)26(27)15-19-31(25,32)7/h13,15,20,23-25H,3,5,10-12,14,16-19H2,1-2,4,6-9H3,(H,34,35)/t23?,24-,25+,30-,31+,32-/m0/s1
InChIKeyBTOTUPNTIAMSIV-CCQCPENESA-N
Species of MetaboliteComponentSourceComments
Wolfiporia cocos (ncbitaxon:81056) - PubMed (17488130)
ChEBI Ontology
Outgoing Relation(s)
Poricoic acid CM (CHEBI:219743) is a triterpenoid (CHEBI:36615)
IUPAC Name 
2-[(3R,3aR,6S,7S,9bR)-6-(3-methoxy-3-oxopropyl)-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,7,8-hexahydrocyclopenta[a]naphthalen-3-yl]-6-methyl-5-methylideneheptanoic acid
Manual XrefsDatabases
20567518ChemSpider