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CHEBI:68383 - stigmasterol 3-O-β-D-glucoside

ChEBI IDCHEBI:68383
ChEBI Namestigmasterol 3-O-β-D-glucoside
Stars
ASCII Namestigmasterol 3-O-beta-D-glucoside
DefinitionA steroid saponin that is (3β,22E)-stigmasta-5,22-dien-3-ol attached to a β-D-glucopyranosyl residue at position 3 via a glycosidic linkage. It is isolated from Symplocos lancifolia.
Last Modified15 November 2019
DownloadsMolfile
FormulaC35H58O6
Net Charge0
Average Mass574.843
Monoisotopic Mass574.42334
SMILES[H][C@@]1(O[C@H]2CC[C@@]3(C)C(=CC[C@@]4([H])[C@]5([H])CC[C@]([H])([C@H](C)/C=C/[C@@H](CC)C(C)C)[C@@]5(C)CC[C@@]43[H])C2)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C35H58O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h8-10,20-22,24-33,36-39H,7,11-19H2,1-6H3/b9-8+/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1
InChIKeyVWDLOXMZIGUBKM-AUGXRQBFSA-N
Species of MetaboliteComponentSourceComments
Symplocos lancifolia (ncbitaxon:239704) leaf (BTO:0000713) PubMed (21288041) Dried, powdered leaves extracted with boiling 80% methanol
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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)
stigmasterol 3-O-β-D-glucoside (CHEBI:68383) has functional parent stigmasterol (CHEBI:28824)
stigmasterol 3-O-β-D-glucoside (CHEBI:68383) has parent hydride stigmastane (CHEBI:26773)
stigmasterol 3-O-β-D-glucoside (CHEBI:68383) has role metabolite (CHEBI:25212)
stigmasterol 3-O-β-D-glucoside (CHEBI:68383) is a monosaccharide derivative (CHEBI:63367)
stigmasterol 3-O-β-D-glucoside (CHEBI:68383) is a phytosterols (CHEBI:26125)
stigmasterol 3-O-β-D-glucoside (CHEBI:68383) is a steroid saponin (CHEBI:61655)
stigmasterol 3-O-β-D-glucoside (CHEBI:68383) is a β-D-glucoside (CHEBI:22798)
IUPAC Name 
(3β,22E)-stigmasta-5,22-dien-3-yl β-D-glucopyranoside
UniProt Name  Source
stigmasteryl 3-β-D-glucosideUniProt
Registry NumbersSources
Reaxys:4302422Reaxys
Citations