CHEBI:145041 - brassicasterol 3-β-D-glucoside

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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 brassicasterol 3-β-D-glucoside
ChEBI ID CHEBI:145041
ChEBI ASCII Name brassicasterol 3-beta-D-glucoside
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C34H56O6
Net Charge 0
Average Mass 560.816
Monoisotopic Mass 560.40769
InChI InChI=1S/C34H56O6/c1-19(2)20(3)7-8-21(4)25-11-12-26-24-10-9-22-17-23(13-15-33(22,5)27(24)14-16-34(25,26)6)39-32-31(38)30(37)29(36)28(18-35)40-32/h7-9,19-21,23-32,35-38H,10-18H2,1-6H3/b8-7+/t20-,21+,23-,24-,25+,26-,27-,28+,29+,30-,31+,32+,33-,34+/m0/s1
InChIKey ILUZPRRJJSFYEH-OBNQGTFASA-N
SMILES [C@@]12([C@]3([C@@]([C@@]4(C(C[C@@H](O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)CC4)=CC3)C)(CC[C@@]1([C@@]([C@@H](/C=C/[C@@H](C(C)C)C)C)(CC2)[H])C)[H])[H])[H]
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 brassicasterol 3-β-D-glucoside (CHEBI:145041) has functional parent brassicasterol (CHEBI:3168)
brassicasterol 3-β-D-glucoside (CHEBI:145041) is a monosaccharide derivative (CHEBI:63367)
brassicasterol 3-β-D-glucoside (CHEBI:145041) is a sterol 3-β-D-glucoside (CHEBI:37424)
Synonym Source
brassicasterol 3-β-D-glucoside UniProt
Manual Xref Database
CPD-13084 MetaCyc accession
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Citation Waiting for Citations Type Source
25888493 PubMed citation SUBMITTER