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CHEBI:59791 - gibberellin A3 O-β-D-glucoside(1−)

ChEBI IDCHEBI:59791
ChEBI Namegibberellin A3 O-β-D-glucoside(1−)
Stars
ASCII Namegibberellin A3 O-beta-D-glucoside(1-)
DefinitionConjugate base of gibberellin A3 O-β-D-glucoside arising from deprotonation of the carboxylic acid group
Last Modified24 April 2014
SubmitterAnne Morgat
DownloadsMolfile
FormulaC25H31O11
Net Charge-1
Average Mass507.512
Monoisotopic Mass507.18719
SMILES[H][C@@]12CC[C@]3(O)C[C@]1(CC3=C)[C@@H](C(=O)[O-])[C@@]1([H])[C@@]23C=C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@]1(C)C(=O)O3
InChIInChI=1S/C25H32O11/c1-10-7-23-9-24(10,33)5-3-12(23)25-6-4-13(22(2,21(32)36-25)18(25)14(23)19(30)31)35-20-17(29)16(28)15(27)11(8-26)34-20/h4,6,11-18,20,26-29,33H,1,3,5,7-9H2,2H3,(H,30,31)/p-1/t11-,12-,13+,14-,15-,16+,17-,18-,20+,22-,23+,24+,25-/m1/s1
InChIKeyWUTOEZVIPGBMEA-HRHVLVCKSA-M
ChEBI Ontology
Outgoing Relation(s)
gibberellin A3 O-β-D-glucoside(1−) (CHEBI:59791) is a gibberellin carboxylic acid anion (CHEBI:59139)
gibberellin A3 O-β-D-glucoside(1−) (CHEBI:59791) is conjugate base of gibberellin A3 O-β-D-glucoside (CHEBI:52076)
Incoming Relation(s)
gibberellin A3 O-β-D-glucoside (CHEBI:52076) is conjugate acid of gibberellin A3 O-β-D-glucoside(1−) (CHEBI:59791)
IUPAC Names 
(1R,2R,5S,8S,9S,10R,11S,12S)-12-(β-D-glucopyranosyloxy)-5-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylate
2β-(β-D-glucopyranosyloxy)-2β-hydroxy-1β-methyl-8-methylidene-13-oxo-4a,1α-epoxymethano-4aα,4bβ-gibb-3-ene-10β-carboxylate
UniProt Name  Source
gibberellin A3 O-β-D-glucosideUniProt