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CHEBI:200153 - Fomefficinic acid B

ChEBI IDCHEBI:200153
ChEBI NameFomefficinic acid B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC31H48O4
Net Charge0
Average Mass484.721
Monoisotopic Mass484.35526
SMILESC=C(CC[C@@H](C(=O)O)[C@H]1C[C@H](O)[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)C3=CC[C@]12C)C(C)C
InChIInChI=1S/C31H48O4/c1-18(2)19(3)9-10-20(27(34)35)23-17-26(33)31(8)22-11-12-24-28(4,5)25(32)14-15-29(24,6)21(22)13-16-30(23,31)7/h11,13,18,20,23-26,32-33H,3,9-10,12,14-17H2,1-2,4-8H3,(H,34,35)/t20-,23-,24+,25-,26+,29-,30-,31-/m1/s1
InChIKeyDGVHJZPQGFRVEC-ULCNFEHNSA-N
Species of MetaboliteComponentSourceComments
Fomes (ncbitaxon:40441) - PubMed (15516768)
ChEBI Ontology
Outgoing Relation(s)
Fomefficinic acid B (CHEBI:200153) is a cholanoid (CHEBI:36078)
IUPAC Name 
(2R)-2-[(3R,5R,10S,13R,14R,15S,17R)-3,15-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoic acid
Manual XrefsDatabases
9354294ChemSpider