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CHEBI:52076 - gibberellin A3 O-β-D-glucoside
| Formula | C25H32O11 |
| Net Charge | 0 |
| Average Mass | 508.520 |
| Monoisotopic Mass | 508.19446 |
| 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 |
| 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 |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 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 Relation(s) |
| 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 Xrefs | Databases |
|---|---|
| C04070 | KEGG COMPOUND |
| Citations |
|---|