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CHEBI:216385 - 25-hydroxyporicoic acid C

Default Structure
ChEBI IDCHEBI:216385
ChEBI Name25-hydroxyporicoic acid C
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)C(=O)O)CC[C@@]23C)[C@@]1(C)CCC(=O)O
InChIInChI=1S/C31H46O5/c1-19(2)22-11-12-25-24(29(22,6)16-15-26(32)33)14-18-30(7)23(13-17-31(25,30)8)21(27(34)35)10-9-20(3)28(4,5)36/h12,14,21-23,36H,1,3,9-11,13,15-18H2,2,4-8H3,(H,32,33)(H,34,35)/t21?,22-,23+,29-,30+,31-/m0/s1
InChIKeyHHZQHKPGFJOQSU-MOLUDBHFSA-N
Species of MetaboliteComponentSourceComments
Wolfiporia cocos (ncbitaxon:81056) - PubMed (19746919)
ChEBI Ontology
Outgoing Relation(s)
25-hydroxyporicoic acid C (CHEBI:216385) is a triterpenoid (CHEBI:36615)
IUPAC Name 
2-[(3R,3aR,6S,7S,9bR)-6-(2-carboxyethyl)-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,7,8-hexahydrocyclopenta[a]naphthalen-3-yl]-6-hydroxy-6-methyl-5-methylideneheptanoic acid
Manual XrefsDatabases
78438638ChemSpider