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CHEBI:205193 - 29-hydroxypolyporenic acid C

ChEBI IDCHEBI:205193
ChEBI Name29-hydroxypolyporenic acid C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H46O5
Net Charge0
Average Mass498.704
Monoisotopic Mass498.33452
SMILESC=C(CC[C@@H](C(=O)O)[C@H]1[C@H](O)C[C@@]2(C)C3=CC[C@H]4[C@@](C)(CO)C(=O)CC[C@]4(C)C3=CC[C@]12C)C(C)C
InChIInChI=1S/C31H46O5/c1-18(2)19(3)8-9-20(27(35)36)26-23(33)16-31(7)22-10-11-24-28(4,21(22)12-15-30(26,31)6)14-13-25(34)29(24,5)17-32/h10,12,18,20,23-24,26,32-33H,3,8-9,11,13-17H2,1-2,4-7H3,(H,35,36)/t20-,23-,24-,26+,28-,29-,30-,31+/m1/s1
InChIKeyWMGIVNDVJFWFEU-ROUXZGEUSA-N
Species of MetaboliteComponentSourceComments
Wolfiporia cocos (ncbitaxon:81056) - PubMed (18827390)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
29-hydroxypolyporenic acid C (CHEBI:205193) is a bile acid (CHEBI:3098)
IUPAC Name 
(2R)-2-[(4S,5R,10S,13R,14R,16R,17R)-16-hydroxy-4-(hydroxymethyl)-4,10,13,14-tetramethyl-3-oxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoic acid
Manual XrefsDatabases
78441042ChemSpider