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CHEBI:228338 - Poricoic acid B

Default Structure
ChEBI IDCHEBI:228338
ChEBI NamePoricoic acid B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H44O5
Net Charge0
Average Mass484.677
Monoisotopic Mass484.31887
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)O
InChIInChI=1S/C30H44O5/c1-18(2)9-8-10-20(27(34)35)26-24(31)17-30(7)23-12-11-21(19(3)4)28(5,15-14-25(32)33)22(23)13-16-29(26,30)6/h9,12-13,20-21,24,26,31H,3,8,10-11,14-17H2,1-2,4-7H3,(H,32,33)(H,34,35)/t20?,21-,24+,26-,28-,29+,30-/m0/s1
InChIKeyNXAZWYWJZDFISF-RWENVMIDSA-N
ChEBI Ontology
Outgoing Relation(s)
Poricoic acid B (CHEBI:228338) 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-methylhept-5-enoic acid
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