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CHEBI:199801 - 25-methoxyporicoic acid A

Default Structure
ChEBI IDCHEBI:199801
ChEBI Name25-methoxyporicoic acid A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H48O6
Net Charge0
Average Mass528.730
Monoisotopic Mass528.34509
SMILESC=C(C)[C@@H]1CC=C2C(=CC[C@]3(C)[C@@H](C(CCC(=C)C(C)(C)OC)C(=O)O)[C@H](O)C[C@@]23C)[C@@]1(C)CCC(=O)O
InChIInChI=1S/C32H48O6/c1-19(2)22-12-13-24-23(30(22,6)16-15-26(34)35)14-17-31(7)27(25(33)18-32(24,31)8)21(28(36)37)11-10-20(3)29(4,5)38-9/h13-14,21-22,25,27,33H,1,3,10-12,15-18H2,2,4-9H3,(H,34,35)(H,36,37)/t21?,22-,25+,27-,30-,31+,32-/m0/s1
InChIKeyVZIHBVSTTFISKH-YCTFAFAKSA-N
Species of MetaboliteComponentSourceComments
Wolfiporia cocos (ncbitaxon:81056) - PubMed (19746919)
ChEBI Ontology
Outgoing Relation(s)
25-methoxyporicoic acid A (CHEBI:199801) is a triterpenoid (CHEBI:36615)
IUPAC Name 
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-methoxy-6-methyl-5-methylideneheptanoic acid
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