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CHEBI:205197 - Elfvingic acid F

ChEBI IDCHEBI:205197
ChEBI NameElfvingic acid F
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H42O9
Net Charge0
Average Mass546.657
Monoisotopic Mass546.28288
SMILESCC(CC(=O)CC(C)(O)C1=C[C@@H](O)[C@]2(C)[C@]1(C)C(=O)C=C1[C@@]3(CO)CC[C@H](O)C(C)(C)C3C[C@@H]3O[C@]132)C(=O)O
InChIInChI=1S/C30H42O9/c1-15(24(36)37)9-16(32)13-26(4,38)18-10-22(35)28(6)27(18,5)21(34)11-19-29(14-31)8-7-20(33)25(2,3)17(29)12-23-30(19,28)39-23/h10-11,15,17,20,22-23,31,33,35,38H,7-9,12-14H2,1-6H3,(H,36,37)/t15?,17?,20-,22+,23-,26?,27-,28+,29+,30+/m0/s1
InChIKeyXXKAPAYWTQDHCB-VRYDGNCDSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Elfvingic acid F (CHEBI:205197) is a bile acid (CHEBI:3098)
IUPAC Name 
6-[(1S,3S,7S,10R,14R,17R,18S)-7,17-dihydroxy-10-(hydroxymethyl)-6,6,14,18-tetramethyl-13-oxo-2-oxapentacyclo[9.7.0.01,3.05,10.014,18]octadeca-11,15-dien-15-yl]-6-hydroxy-2-methyl-4-oxoheptanoic acid
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