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

ChEBI IDCHEBI:145041
ChEBI Namebrassicasterol 3-β-D-glucoside
Stars
ASCII Namebrassicasterol 3-beta-D-glucoside
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC34H56O6
Net Charge0
Average Mass560.816
Monoisotopic Mass560.40769
SMILES[H][C@@]12CC=C3C[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)/C=C/[C@H](C)C(C)C
InChIInChI=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
InChIKeyILUZPRRJJSFYEH-OBNQGTFASA-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)
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)
UniProt Name  Source
brassicasterol 3-β-D-glucosideUniProt
Manual XrefsDatabases
CPD-13084MetaCyc
Citations