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CHEBI:193029 - 17α-sitoindoside IX

ChEBI IDCHEBI:193029
ChEBI Name17α-sitoindoside IX
Stars
ASCII Name17alpha-sitoindoside IX
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC34H48O12
Net Charge0
Average Mass648.746
Monoisotopic Mass648.31458
SMILES[H][C@@]12C[C@H]3O[C@]34[C@@H](O)C=CC(=O)[C@]4(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1(O)[C@H](C)[C@@]1([H])CC(C)=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)O1
InChIInChI=1S/C34H48O12/c1-15-11-21(44-29(41)18(15)14-43-30-28(40)27(39)26(38)22(13-35)45-30)16(2)33(42)10-8-19-17-12-25-34(46-25)24(37)6-5-23(36)32(34,4)20(17)7-9-31(19,33)3/h5-6,16-17,19-22,24-28,30,35,37-40,42H,7-14H2,1-4H3/t16-,17+,19+,20+,21-,22-,24+,25-,26-,27+,28-,30-,31+,32+,33+,34-/m1/s1
InChIKeyKWIFYNJSBRPQGZ-MHWLCCPPSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
17α-sitoindoside IX (CHEBI:193029) is a 17α-hydroxy steroid (CHEBI:35342)
17α-sitoindoside IX (CHEBI:193029) is a 4-hydroxy steroid (CHEBI:62846)
17α-sitoindoside IX (CHEBI:193029) is a enone (CHEBI:51689)
17α-sitoindoside IX (CHEBI:193029) is a epoxy steroid (CHEBI:145217)
17α-sitoindoside IX (CHEBI:193029) is a ergostanoid (CHEBI:50403)
17α-sitoindoside IX (CHEBI:193029) is a monosaccharide derivative (CHEBI:63367)
17α-sitoindoside IX (CHEBI:193029) is a secondary alcohol (CHEBI:35681)
17α-sitoindoside IX (CHEBI:193029) is a withanolide saponin (CHEBI:76344)
17α-sitoindoside IX (CHEBI:193029) is a β-D-glucoside (CHEBI:22798)
17α-sitoindoside IX (CHEBI:193029) is a δ-lactone (CHEBI:18946)
UniProt Name  Source
17α-sitoindoside IXUniProt
Manual XrefsDatabases
CPD-24478MetaCyc
Citations