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CHEBI:193034 - withanone 27-O-β-D-glucoside

ChEBI IDCHEBI:193034
ChEBI Namewithanone 27-O-β-D-glucoside
Stars
ASCII Namewithanone 27-O-beta-D-glucoside
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC34H48O12
Net Charge0
Average Mass648.746
Monoisotopic Mass648.31458
SMILES[H][C@@]12CC[C@](O)([C@H](C)[C@@]3([H])CC(C)=C(CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(=O)O3)[C@@]1(C)CC[C@]1([H])[C@@]3(C)C(=O)C=CC[C@]3(O)[C@H]3O[C@H]3[C@@]21[H]
InChIInChI=1S/C34H48O12/c1-15-12-20(44-29(40)17(15)14-43-30-26(39)25(38)24(37)21(13-35)45-30)16(2)33(41)11-8-18-23-19(7-10-31(18,33)3)32(4)22(36)6-5-9-34(32,42)28-27(23)46-28/h5-6,16,18-21,23-28,30,35,37-39,41-42H,7-14H2,1-4H3/t16-,18+,19+,20-,21-,23+,24-,25+,26-,27+,28+,30-,31+,32+,33+,34+/m1/s1
InChIKeyGHMBTUCPPDHSEB-ALXGINQXSA-N
ChEBI Ontology
Outgoing Relation(s)
withanone 27-O-β-D-glucoside (CHEBI:193034) is a 17α-hydroxy steroid (CHEBI:35342)
withanone 27-O-β-D-glucoside (CHEBI:193034) is a enone (CHEBI:51689)
withanone 27-O-β-D-glucoside (CHEBI:193034) is a epoxy steroid (CHEBI:145217)
withanone 27-O-β-D-glucoside (CHEBI:193034) is a ergostanoid (CHEBI:50403)
withanone 27-O-β-D-glucoside (CHEBI:193034) is a monosaccharide derivative (CHEBI:63367)
withanone 27-O-β-D-glucoside (CHEBI:193034) is a secondary alcohol (CHEBI:35681)
withanone 27-O-β-D-glucoside (CHEBI:193034) is a sterol 27-β-D-glucosides (CHEBI:193032)
withanone 27-O-β-D-glucoside (CHEBI:193034) is a β-D-glucoside (CHEBI:22798)
withanone 27-O-β-D-glucoside (CHEBI:193034) is a δ-lactone (CHEBI:18946)
UniProt Name  Source
withanone 27-O-β-D-glucosideUniProt
Citations