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CHEBI:206754 - Poricoic acid I

Default Structure
ChEBI IDCHEBI:206754
ChEBI NamePoricoic acid I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H46O6
Net Charge0
Average Mass514.703
Monoisotopic Mass514.32944
SMILESC=C(C)[C@@H]1CC=C2C(=CC[C@]3(C)[C@@H]([C@@H](CCC(CO)=C(C)C)C(=O)O)[C@H](O)C[C@@]23C)[C@@]1(C)CCC(=O)O
InChIInChI=1S/C31H46O6/c1-18(2)20(17-32)8-9-21(28(36)37)27-25(33)16-31(7)24-11-10-22(19(3)4)29(5,14-13-26(34)35)23(24)12-15-30(27,31)6/h11-12,21-22,25,27,32-33H,3,8-10,13-17H2,1-2,4-7H3,(H,34,35)(H,36,37)/t21-,22+,25-,27+,29+,30-,31+/m1/s1
InChIKeyRYPXXLRJCKBBJS-SMFZDKLCSA-N
Species of MetaboliteComponentSourceComments
Wolfiporia cocos (ncbitaxon:81056) - PubMed (31180673)
ChEBI Ontology
Outgoing Relation(s)
Poricoic acid I (CHEBI:206754) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(2R)-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-(hydroxymethyl)-6-methylhept-5-enoic acid