CHEBI:52076 - gibberellin A3 O-β-D-glucoside

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name gibberellin A3 O-β-D-glucoside
ChEBI ID CHEBI:52076
ChEBI ASCII Name gibberellin A3 O-beta-D-glucoside
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
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Formula C25H32O11
Net Charge 0
Average Mass 508.51500
Monoisotopic Mass 508.19446
InChI InChI=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)/t11-,12-,13+,14-,15-,16+,17-,18-,20+,22-,23+,24+,25-/m1/s1
InChIKey WUTOEZVIPGBMEA-HRHVLVCKSA-N
SMILES [H][C@@]12CC[C@]3(O)C[C@]1(CC3=C)[C@@H](C(O)=O)[C@]1([H])[C@@]3(C)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C[C@@]21OC3=O
ChEBI Ontology
Outgoing gibberellin A3 O-β-D-glucoside (CHEBI:52076) has functional parent gibberellin A3 (CHEBI:28833)
gibberellin A3 O-β-D-glucoside (CHEBI:52076) is a β-D-glucoside (CHEBI:22798)
gibberellin A3 O-β-D-glucoside (CHEBI:52076) is conjugate acid of gibberellin A3 O-β-D-glucoside(1−) (CHEBI:59791)
Incoming gibberellin A3 O-β-D-glucoside(1−) (CHEBI:59791) is conjugate base of gibberellin A3 O-β-D-glucoside (CHEBI:52076)
IUPAC Names
(1R,2R,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-carboxylic acid
2β-(β-D-glucopyranosyloxy)-2β-hydroxy-1β-methyl-8-methylidene-13-oxo-4a,1α-epoxymethano-4aα,4bβ-gibb-3-ene-10β-carboxylic acid
Synonym Source
Gibberellin 2-O-beta-D-glucoside KEGG COMPOUND
Manual Xref Database
C04070 KEGG COMPOUND
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Last Modified
26 October 2017