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CHEBI:210492 - Elfvingic acid G

ChEBI IDCHEBI:210492
ChEBI NameElfvingic acid G
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H40O9
Net Charge0
Average Mass544.641
Monoisotopic Mass544.26723
SMILESCC(CC(=O)CC(C)(O)C1=C[C@@H](O)[C@]2(C)[C@]1(C)C(=O)C=C1[C@@]2(O)C(=O)CC2C(C)(C)C(=O)CC[C@]12C)C(=O)O
InChIInChI=1S/C30H40O9/c1-15(24(36)37)10-16(31)14-27(5,38)19-13-22(34)29(7)28(19,6)21(33)12-18-26(4)9-8-20(32)25(2,3)17(26)11-23(35)30(18,29)39/h12-13,15,17,22,34,38-39H,8-11,14H2,1-7H3,(H,36,37)/t15?,17?,22-,26+,27?,28+,29-,30-/m1/s1
InChIKeyKSROOTXYLRZSJU-VWAVGICVSA-N
ChEBI Ontology
Outgoing Relation(s)
Elfvingic acid G (CHEBI:210492) is a cholanoid (CHEBI:36078)
IUPAC Name 
6-[(8S,10S,13R,14S,15R)-8,15-dihydroxy-4,4,10,13,14-pentamethyl-3,7,12-trioxo-2,5,6,15-tetrahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-4-oxoheptanoic acid
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