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CHEBI:199379 - Fomefficinic acid E

ChEBI IDCHEBI:199379
ChEBI NameFomefficinic acid E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC33H50O5
Net Charge0
Average Mass526.758
Monoisotopic Mass526.36582
SMILESC=C(CC[C@@H](C(=O)O)[C@H]1C[C@H](OC(C)=O)[C@@]2(C)C3=CCC4C(C)(C)C(=O)CC[C@]4(C)C3CCC12C)C(C)C
InChIInChI=1S/C33H50O5/c1-19(2)20(3)10-11-22(29(36)37)25-18-28(38-21(4)34)33(9)24-12-13-26-30(5,6)27(35)15-16-31(26,7)23(24)14-17-32(25,33)8/h12,19,22-23,25-26,28H,3,10-11,13-18H2,1-2,4-9H3,(H,36,37)/t22-,23?,25-,26?,28+,31-,32?,33-/m1/s1
InChIKeyCMFXVXMZKRZFGW-PMZMHBGXSA-N
Species of MetaboliteComponentSourceComments
Fomes (ncbitaxon:40441) - PubMed (15516768)
ChEBI Ontology
Outgoing Relation(s)
Fomefficinic acid E (CHEBI:199379) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(2R)-2-[(10R,14R,15S,17R)-15-acetyloxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoic acid
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