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CHEBI:206046 - 3beta,16alpha,30-trihydroxy-24-methyllanosta-7,9(11),24(31)-trien-21-oic acid

ChEBI IDCHEBI:206046
ChEBI Name3beta,16alpha,30-trihydroxy-24-methyllanosta-7,9(11),24(31)-trien-21-oic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H48O5
Net Charge0
Average Mass500.720
Monoisotopic Mass500.35017
SMILESC=C(CC[C@@H](C(=O)O)[C@H]1[C@H](O)C[C@@]2(CO)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C)C(C)C
InChIInChI=1S/C31H48O5/c1-18(2)19(3)8-9-20(27(35)36)26-23(33)16-31(17-32)22-10-11-24-28(4,5)25(34)13-14-29(24,6)21(22)12-15-30(26,31)7/h10,12,18,20,23-26,32-34H,3,8-9,11,13-17H2,1-2,4-7H3,(H,35,36)/t20-,23-,24+,25+,26+,29-,30-,31-/m1/s1
InChIKeyABCIAXTZVMMDMS-JBDXZHTESA-N
Species of MetaboliteComponentSourceComments
Wolfiporia cocos (ncbitaxon:81056) - PubMed (27808511)
ChEBI Ontology
Outgoing Relation(s)
3beta,16alpha,30-trihydroxy-24-methyllanosta-7,9(11),24(31)-trien-21-oic acid (CHEBI:206046) is a cholanoid (CHEBI:36078)
IUPAC Name 
(2R)-2-[(3S,5R,10S,13R,14S,16R,17R)-3,16-dihydroxy-14-(hydroxymethyl)-4,4,10,13-tetramethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoic acid
Manual XrefsDatabases
76794995ChemSpider