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CHEBI:28153 - gibberellin A2 O-β-D-glucoside

ChEBI IDCHEBI:28153
ChEBI Namegibberellin A2 O-β-D-glucoside
Stars
ASCII Namegibberellin A2 O-beta-D-glucoside
Secondary ChEBI IDsCHEBI:5344, CHEBI:14306, CHEBI:24238
Last Modified31 March 2014
DownloadsMolfile
FormulaC25H36O11
Net Charge0
Average Mass512.552
Monoisotopic Mass512.22576
SMILES[H][C@@]12CC[C@]3([H])[C@@](C1)(C[C@@]2(C)O)[C@@H](C(=O)O)[C@@]1([H])[C@@]32CC[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@]1(C)C(=O)O2
InChIInChI=1S/C25H36O11/c1-22(33)9-24-7-10(22)3-4-12(24)25-6-5-13(23(2,21(32)36-25)18(25)14(24)19(30)31)35-20-17(29)16(28)15(27)11(8-26)34-20/h10-18,20,26-29,33H,3-9H2,1-2H3,(H,30,31)/t10-,11-,12-,13+,14-,15-,16+,17-,18-,20+,22-,23-,24-,25-/m1/s1
InChIKeyWTKQZMGIUAMURO-VKFLIQGRSA-N
ChEBI Ontology
Outgoing Relation(s)
gibberellin A2 O-β-D-glucoside (CHEBI:28153) has functional parent gibberellin A2 (CHEBI:36774)
gibberellin A2 O-β-D-glucoside (CHEBI:28153) is a β-D-glucoside (CHEBI:22798)
IUPAC Names 
2β-(β-D-glucopyranosyloxy)-8α-hydroxy-1β,8-dimethyl-13-oxo-4a,1α-epoxymethano-4aα,4bβ-gibbane-10β-carboxylic acid
(1R,2R,5R,6R,8R,9S,10R,11S,12S)-12-(β-D-glucopyranosyloxy)-6-hydroxy-6,11-dimethyl-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid