CHEBI:167133 - gypsogenin 28-β-D-glucoside

ChEBI IDCHEBI:167133
ChEBI Namegypsogenin 28-β-D-glucoside
Stars
ASCII Namegypsogenin 28-beta-D-glucoside
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC36H56O9
Net Charge0
Average Mass632.835
Monoisotopic Mass632.39243
SMILES[H][C@]12CC=C3[C@]4([H])CC(C)(C)CC[C@]4(C(=O)O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)CC[C@@]3(C)[C@]1(C)CC[C@]1([H])[C@]2(C)CC[C@H](O)[C@@]1(C)C=O
InChIInChI=1S/C36H56O9/c1-31(2)13-15-36(30(43)45-29-28(42)27(41)26(40)22(18-37)44-29)16-14-34(5)20(21(36)17-31)7-8-24-32(3)11-10-25(39)33(4,19-38)23(32)9-12-35(24,34)6/h7,19,21-29,37,39-42H,8-18H2,1-6H3/t21-,22+,23+,24+,25-,26+,27-,28+,29+,32-,33-,34+,35+,36-/m0/s1
InChIKeyJGTHNRAJDIUMIQ-UIJKDBGXSA-N
ChEBI Ontology
Outgoing Relation(s)
gypsogenin 28-β-D-glucoside (CHEBI:167133) has functional parent gypsogenin (CHEBI:5580)
gypsogenin 28-β-D-glucoside (CHEBI:167133) is a monosaccharide derivative (CHEBI:63367)
gypsogenin 28-β-D-glucoside (CHEBI:167133) is a β-D-glucoside (CHEBI:22798)
UniProt Name  Source
gypsogenin 28-β-D-glucosideUniProt
Manual XrefsDatabases
CPD-9472MetaCyc
Citations