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CHEBI:227066 - Poricoic acid BM

Default Structure
ChEBI IDCHEBI:227066
ChEBI NamePoricoic acid BM
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H46O5
Net Charge0
Average Mass498.704
Monoisotopic Mass498.33452
SMILESC=C(C)[C@@H]1CC=C2C(=CC[C@]3(C)[C@@H](C(CCC=C(C)C)C(=O)O)[C@H](O)C[C@@]23C)[C@@]1(C)CCC(=O)OC
InChIInChI=1S/C31H46O5/c1-19(2)10-9-11-21(28(34)35)27-25(32)18-31(7)24-13-12-22(20(3)4)29(5,16-15-26(33)36-8)23(24)14-17-30(27,31)6/h10,13-14,21-22,25,27,32H,3,9,11-12,15-18H2,1-2,4-8H3,(H,34,35)/t21?,22-,25+,27-,29-,30+,31-/m0/s1
InChIKeyKBQBNLHZTLWXML-KGXQETAESA-N
Species of MetaboliteComponentSourceComments
Wolfiporia cocos (ncbitaxon:81056) - DOI (10.1016/0031-9422(95)00110-s)
ChEBI Ontology
Outgoing Relation(s)
Poricoic acid BM (CHEBI:227066) is a triterpenoid (CHEBI:36615)
IUPAC Name 
2-[(2R,3R,3aR,6S,7S,9bR)-2-hydroxy-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-methylhept-5-enoic acid
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