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CHEBI:204540 - Ganorbiformin A

ChEBI IDCHEBI:204540
ChEBI NameGanorbiformin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC32H48O8
Net Charge0
Average Mass560.728
Monoisotopic Mass560.33492
SMILESCC(=O)O[C@@H](C/C=C(\C)C(=O)O)[C@@H](C)[C@H]1C[C@@](C)(O)C2=C3[C@H](O)C[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@]3(O)CC[C@@]21C
InChIInChI=1S/C32H48O8/c1-17(27(36)37)9-10-22(40-19(3)33)18(2)20-16-31(8,38)26-25-21(34)15-23-28(4,5)24(35)11-12-30(23,7)32(25,39)14-13-29(20,26)6/h9,18,20-23,34,38-39H,10-16H2,1-8H3,(H,36,37)/b17-9+/t18-,20+,21+,22-,23-,29+,30-,31+,32+/m0/s1
InChIKeyDZEJAEGGININJV-FGFSZNLVSA-N
Species of MetaboliteComponentSourceComments
Ganoderma (ncbitaxon:5314) - PubMed (23280041)
ChEBI Ontology
Outgoing Relation(s)
Ganorbiformin A (CHEBI:204540) is a cholanoid (CHEBI:36078)
IUPAC Name 
(E,5S,6S)-5-acetyloxy-2-methyl-6-[(5R,7R,9S,10S,13R,15R,17R)-7,9,15-trihydroxy-4,4,10,13,15-pentamethyl-3-oxo-2,5,6,7,11,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-2-enoic acid
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