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CHEBI:38148 - cannogenin

ChEBI IDCHEBI:38148
ChEBI Namecannogenin
Stars
Last Modified17 March 2016
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC23H32O5
Net Charge0
Average Mass388.504
Monoisotopic Mass388.22497
SMILES[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@]3(O)CC[C@]4([H])C3=CC(=O)OC3)[C@@]1(C=O)CC[C@H](O)C2
InChIInChI=1S/C23H32O5/c1-21-7-5-18-19(3-2-15-11-16(25)4-8-22(15,18)13-24)23(21,27)9-6-17(21)14-10-20(26)28-12-14/h10,13,15-19,25,27H,2-9,11-12H2,1H3/t15-,16+,17-,18+,19-,21-,22-,23+/m1/s1
InChIKeyJNTNUSUPTSNMNJ-NNNAONFXSA-N
ChEBI Ontology
Outgoing Relation(s)
cannogenin (CHEBI:38148) has parent hydride 5β-cardanolide (CHEBI:35542)
cannogenin (CHEBI:38148) is a 14β-hydroxy steroid (CHEBI:36862)
cannogenin (CHEBI:38148) is a 19-oxo steroid (CHEBI:38149)
cannogenin (CHEBI:38148) is a 3β-hydroxy steroid (CHEBI:36836)
cannogenin (CHEBI:38148) is a steroid aldehyde (CHEBI:131565)
Incoming Relation(s)
thevetin A (CHEBI:28841) has functional parent cannogenin (CHEBI:38148)
IUPAC Name 
3β,14-dihydroxy-19-oxo-5β-card-20(22)-enolide
Registry NumbersSources
Beilstein:1299269Beilstein