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CHEBI:192428 - Gibberellin A1 glucosyl ester

ChEBI IDCHEBI:192428
ChEBI NameGibberellin A1 glucosyl ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H34O11
Net Charge0
Average Mass510.536
Monoisotopic Mass510.21011
SMILES[H][C@@]12CC[C@]3(O)C[C@]1(CC3=C)[C@@H](C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@]1([H])[C@@]23CC[C@H](O)[C@@]1(C)C(=O)O3
InChIInChI=1S/C25H34O11/c1-10-7-23-9-24(10,33)5-3-12(23)25-6-4-13(27)22(2,21(32)36-25)18(25)14(23)19(31)35-20-17(30)16(29)15(28)11(8-26)34-20/h11-18,20,26-30,33H,1,3-9H2,2H3/t11-,12-,13+,14-,15-,16+,17-,18-,20+,22-,23+,24+,25-/m1/s1
InChIKeyYNUHPGJFLBSPMR-HRHVLVCKSA-N
Species of MetaboliteComponentSourceComments
Pinus radiata (ncbitaxon:3347) leaf (BTO:0000713) MetaboLights (MTBLS4567)
ChEBI Ontology
Outgoing Relation(s)
Gibberellin A1 glucosyl ester (CHEBI:192428) is a diterpene glycoside (CHEBI:71939)
IUPAC Name 
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,2R,5S,8S,9S,10R,11S,12S)-5,12-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylate