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CHEBI:206782 - Poricoic acid M

Default Structure
ChEBI IDCHEBI:206782
ChEBI NamePoricoic acid M
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H46O7
Net Charge0
Average Mass518.691
Monoisotopic Mass518.32435
SMILESC=C(C)[C@@H]1CC=C2C(=CC[C@]3(C)[C@@H]([C@@H](CC[C@@H](O)C(C)(C)O)C(=O)O)[C@H](O)C[C@@]23C)[C@@]1(C)CCC(=O)O
InChIInChI=1S/C30H46O7/c1-17(2)19-9-10-21-20(28(19,5)14-13-24(33)34)12-15-29(6)25(22(31)16-30(21,29)7)18(26(35)36)8-11-23(32)27(3,4)37/h10,12,18-19,22-23,25,31-32,37H,1,8-9,11,13-16H2,2-7H3,(H,33,34)(H,35,36)/t18-,19+,22-,23-,25+,28+,29-,30+/m1/s1
InChIKeyYEEROKSIOBPFET-JBIWJWGBSA-N
Species of MetaboliteComponentSourceComments
Wolfiporia cocos (ncbitaxon:81056) - PubMed (31180673)
ChEBI Ontology
Outgoing Relation(s)
Poricoic acid M (CHEBI:206782) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(2R,5R)-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]-5,6-dihydroxy-6-methylheptanoic acid