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CHEBI:214302 - 16alpha,25-dihydroxydehydroeburiconic acid

ChEBI IDCHEBI:214302
ChEBI Name16alpha,25-dihydroxydehydroeburiconic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H46O5
Net Charge0
Average Mass498.704
Monoisotopic Mass498.33452
SMILESC=C(CCC(C(=O)O)[C@H]1[C@H](O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C)C(C)(C)O
InChIInChI=1S/C31H46O5/c1-18(28(4,5)36)9-10-19(26(34)35)25-22(32)17-31(8)21-11-12-23-27(2,3)24(33)14-15-29(23,6)20(21)13-16-30(25,31)7/h11,13,19,22-23,25,32,36H,1,9-10,12,14-17H2,2-8H3,(H,34,35)/t19?,22-,23+,25+,29-,30-,31+/m1/s1
InChIKeySQDBINMAYPNYDY-BBQKHDEISA-N
Species of MetaboliteComponentSourceComments
Wolfiporia cocos (ncbitaxon:81056) - PubMed (17488130)
ChEBI Ontology
Outgoing Relation(s)
16alpha,25-dihydroxydehydroeburiconic acid (CHEBI:214302) is a cholanoid (CHEBI:36078)
IUPAC Name 
6-hydroxy-2-[(5R,10S,13R,14R,16R,17R)-16-hydroxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoic acid
Manual XrefsDatabases
20568800ChemSpider