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CHEBI:191675 - 2''-O-Acetylisoorientin

ChEBI IDCHEBI:191675
ChEBI Name2''-O-Acetylisoorientin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H22O12
Net Charge0
Average Mass490.417
Monoisotopic Mass490.11113
SMILES[H][C@@]1(c2c(O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c2O)OC(CO)[C@@H](O)[C@H](O)C1OC(C)=O
InChIInChI=1S/C23H22O12/c1-8(25)33-23-21(32)19(30)16(7-24)35-22(23)18-13(29)6-15-17(20(18)31)12(28)5-14(34-15)9-2-3-10(26)11(27)4-9/h2-6,16,19,21-24,26-27,29-32H,7H2,1H3/t16?,19-,21+,22+,23?/m1/s1
InChIKeyLZCYTIIPENLJKB-QOUVSYAKSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
seed (BTO:0001226) MetaboLights (MTBLS4572)
bark (BTO:0001301) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
2''-O-Acetylisoorientin (CHEBI:191675) is a C-glycosyl compound (CHEBI:20857)
2''-O-Acetylisoorientin (CHEBI:191675) is a flavonoids (CHEBI:72544)
IUPAC Name 
[(2S,4S,5S)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-6-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] acetate
Manual XrefsDatabases
24843515ChemSpider
LMPK12110477LIPID MAPS