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CHEBI:38405 - antiogenin

ChEBI IDCHEBI:38405
ChEBI Nameantiogenin
Stars
Last Modified4 June 2007
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC23H34O6
Net Charge0
Average Mass406.519
Monoisotopic Mass406.23554
SMILES[H][C@]12C[C@@H](O)[C@@]3(C)[C@](O)(CC[C@]3([H])C3=CC(=O)OC3)[C@]1([H])CC[C@]1(O)C[C@@H](O)CC[C@@]12C
InChIInChI=1S/C23H34O6/c1-20-6-3-14(24)11-22(20,27)7-4-16-17(20)10-18(25)21(2)15(5-8-23(16,21)28)13-9-19(26)29-12-13/h9,14-18,24-25,27-28H,3-8,10-12H2,1-2H3/t14-,15+,16+,17-,18+,20+,21-,22-,23-/m0/s1
InChIKeyULRMPWVHLRZNOY-CFVFHYIWSA-N
ChEBI Ontology
Outgoing Relation(s)
antiogenin (CHEBI:38405) has parent hydride 5β-cardanolide (CHEBI:35542)
antiogenin (CHEBI:38405) is a 12β-hydroxy steroid (CHEBI:36847)
antiogenin (CHEBI:38405) is a 14β-hydroxy steroid (CHEBI:36862)
antiogenin (CHEBI:38405) is a 3β-hydroxy steroid (CHEBI:36836)
antiogenin (CHEBI:38405) is a 5β-hydroxy steroid (CHEBI:38195)
Incoming Relation(s)
antioside (CHEBI:28373) has functional parent antiogenin (CHEBI:38405)
IUPAC Name 
3β,5,12β,14-tetrahydroxy-5β-card-20(22)-enolide
Registry NumbersSources
Beilstein:1692913Beilstein