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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name gibberellin A2 O-β-D-glucoside
ChEBI ID CHEBI:28153
ChEBI ASCII Name gibberellin A2 O-beta-D-glucoside
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:14306, CHEBI:5344, CHEBI:24238
Supplier Information
Download Molfile XML SDF
Formula C25H36O11
Net Charge 0
Average Mass 512.54670
Monoisotopic Mass 512.22576
InChI InChI=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
InChIKey WTKQZMGIUAMURO-VKFLIQGRSA-N
SMILES [H][C@@]12CC[C@]3([H])[C@@](C1)(C[C@@]2(C)O)[C@@H](C(O)=O)[C@]1([H])[C@@]2(C)[C@H](CC[C@@]31OC2=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
ChEBI Ontology
Outgoing 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
(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
2β-(β-D-glucopyranosyloxy)-8α-hydroxy-1β,8-dimethyl-13-oxo-4a,1α-epoxymethano-4aα,4bβ-gibbane-10β-carboxylic acid
Last Modified
31 March 2014