CHEBI:193029 - 17α-sitoindoside IX

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 17α-sitoindoside IX
ChEBI ID CHEBI:193029
ChEBI ASCII Name 17alpha-sitoindoside IX
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C34H48O12
Net Charge 0
Average Mass 648.746
Monoisotopic Mass 648.31458
InChI InChI=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
InChIKey KWIFYNJSBRPQGZ-MHWLCCPPSA-N
SMILES [C@]123[C@@]([C@]4(CC[C@]5([C@]([C@@]4(C[C@H]1O2)[H])(CC[C@@]5([C@H](C)[C@@]6(OC(=O)C(=C(C6)C)CO[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7O)CO)[H])O)[H])C)[H])(C(=O)C=C[C@@H]3O)C
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via saponin )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 17α-sitoindoside IX (CHEBI:193029) is a β-D-glucoside (CHEBI:22798)
17α-sitoindoside IX (CHEBI:193029) is a δ-lactone (CHEBI:18946)
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)
Synonym Source
17α-sitoindoside IX UniProt
Manual Xref Database
CPD-24478 MetaCyc accession
View more database links
Citation Waiting for Citations Type Source
17704015 PubMed citation SUBMITTER