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CHEBI:191429 - 16,17-Dihydro-16alpha,17-dihydroxygibberellin A7 17-glucoside

ChEBI IDCHEBI:191429
ChEBI Name16,17-Dihydro-16alpha,17-dihydroxygibberellin A7 17-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H34O12
Net Charge0
Average Mass526.535
Monoisotopic Mass526.20503
SMILES[H][C@@]12CC[C@]3([H])[C@@](C1)(C[C@]2(O)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H](C(=O)O)[C@@]1([H])[C@@]32C=C[C@H](O)[C@@]1(C)C(=O)O2
InChIInChI=1S/C25H34O12/c1-22-13(27)4-5-25(37-21(22)33)12-3-2-10-6-23(12,14(18(22)25)19(31)32)8-24(10,34)9-35-20-17(30)16(29)15(28)11(7-26)36-20/h4-5,10-18,20,26-30,34H,2-3,6-9H2,1H3,(H,31,32)/t10-,11-,12-,13+,14-,15-,16+,17-,18-,20-,22-,23-,24+,25-/m1/s1
InChIKeyMYDOPTAGDBJRRW-MHDFSROXSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
seed (BTO:0001226) MetaboLights (MTBLS4572)
bark (BTO:0001301) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
16,17-Dihydro-16alpha,17-dihydroxygibberellin A7 17-glucoside (CHEBI:191429) is a diterpene glycoside (CHEBI:71939)
IUPAC Name 
(1R,2R,5R,6R,8R,9S,10R,11S,12S)-6,12-dihydroxy-11-methyl-16-oxo-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid
Manual XrefsDatabases
103884493ChemSpider