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CHEBI:169637 - Gibberellin A4 glucosyl ester

ChEBI IDCHEBI:169637
ChEBI NameGibberellin A4 glucosyl ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H34O10
Net Charge0
Average Mass494.537
Monoisotopic Mass494.21520
SMILESC=C1CC23CC1CCC2C12CCC(O)C(C)(C(=O)O1)C2C3C(=O)OC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C25H34O10/c1-10-7-24-8-11(10)3-4-13(24)25-6-5-14(27)23(2,22(32)35-25)19(25)15(24)20(31)34-21-18(30)17(29)16(28)12(9-26)33-21/h11-19,21,26-30H,1,3-9H2,2H3
InChIKeyWAJNZXFSVANOAB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Gibberellin A4 glucosyl ester (CHEBI:169637) is a diterpene glycoside (CHEBI:71939)
IUPAC Name 
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 12-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylate
Manual XrefsDatabases
74886473ChemSpider
HMDB0038610HMDB