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CHEBI:193036 - 5α,6β,17α-trihydroxywithanolide 27-O-β-D-glucoside

ChEBI IDCHEBI:193036
ChEBI Name5α,6β,17α-trihydroxywithanolide 27-O-β-D-glucoside
Stars
ASCII Name5alpha,6beta,17alpha-trihydroxywithanolide 27-O-beta-D-glucoside
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC34H50O12
Net Charge0
Average Mass650.762
Monoisotopic Mass650.33023
SMILES[H][C@@]12C[C@@H](O)[C@@]3(O)CC=CC(=O)[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1(O)[C@H](C)[C@@]1([H])CC(C)=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)O1
InChIInChI=1S/C34H50O12/c1-16-12-22(45-29(41)19(16)15-44-30-28(40)27(39)26(38)23(14-35)46-30)17(2)33(42)11-8-20-18-13-25(37)34(43)9-5-6-24(36)32(34,4)21(18)7-10-31(20,33)3/h5-6,17-18,20-23,25-28,30,35,37-40,42-43H,7-15H2,1-4H3/t17-,18+,20+,21+,22-,23-,25-,26-,27+,28-,30-,31+,32+,33+,34+/m1/s1
InChIKeyGEXURBSESGZMHD-WBFXMXERSA-N
ChEBI Ontology
Outgoing Relation(s)
5α,6β,17α-trihydroxywithanolide 27-O-β-D-glucoside (CHEBI:193036) is a 17α-hydroxy steroid (CHEBI:35342)
5α,6β,17α-trihydroxywithanolide 27-O-β-D-glucoside (CHEBI:193036) is a 5α-hydroxy steroid (CHEBI:38194)
5α,6β,17α-trihydroxywithanolide 27-O-β-D-glucoside (CHEBI:193036) is a 6β-hydroxy steroid (CHEBI:36851)
5α,6β,17α-trihydroxywithanolide 27-O-β-D-glucoside (CHEBI:193036) is a enone (CHEBI:51689)
5α,6β,17α-trihydroxywithanolide 27-O-β-D-glucoside (CHEBI:193036) is a monosaccharide derivative (CHEBI:63367)
5α,6β,17α-trihydroxywithanolide 27-O-β-D-glucoside (CHEBI:193036) is a secondary alcohol (CHEBI:35681)
5α,6β,17α-trihydroxywithanolide 27-O-β-D-glucoside (CHEBI:193036) is a sterol 27-β-D-glucosides (CHEBI:193032)
5α,6β,17α-trihydroxywithanolide 27-O-β-D-glucoside (CHEBI:193036) is a β-D-glucoside (CHEBI:22798)
5α,6β,17α-trihydroxywithanolide 27-O-β-D-glucoside (CHEBI:193036) is a δ-lactone (CHEBI:18946)
UniProt Name  Source
5α,6β,17α-trihydroxywithanolide 27-O-β-D-glucosideUniProt
Citations