CHEBI:209439 - Fomefficinic acid F

ChEBI IDCHEBI:209439
ChEBI NameFomefficinic acid F
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SubmitterMetaboLights
DownloadsMolfile
FormulaC31H48O5
Net Charge0
Average Mass500.720
Monoisotopic Mass500.35017
SMILESC=C(CC[C@@H](C(=O)O)[C@H]1C[C@H](O)[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3)C(C)CO
InChIInChI=1S/C31H48O5/c1-18(19(2)17-32)8-9-20(27(35)36)23-16-26(34)31(7)22-10-11-24-28(3,4)25(33)13-14-29(24,5)21(22)12-15-30(23,31)6/h19-20,23-24,26,32,34H,1,8-17H2,2-7H3,(H,35,36)/t19?,20-,23-,24+,26+,29-,30-,31-/m1/s1
InChIKeyQHXWUJIUYIBLAR-QCWFVJBISA-N
Species of MetaboliteComponentSourceComments
Fomes (ncbitaxon:40441) - PubMed (19182411)
ChEBI Ontology
Outgoing Relation(s)
Fomefficinic acid F (CHEBI:209439) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(2R)-7-hydroxy-2-[(5R,10S,13R,14R,15S,17R)-15-hydroxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoic acid
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78437392ChemSpider