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CHEBI:191651 - Isoswertiajaponin

ChEBI IDCHEBI:191651
ChEBI NameIsoswertiajaponin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H22O11
Net Charge0
Average Mass462.407
Monoisotopic Mass462.11621
SMILES[H][C@@]1(c2c(OC)cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc23)OC(CO)[C@H](O)[C@H](O)C1O
InChIInChI=1S/C22H22O11/c1-31-14-6-12(27)16-11(26)5-13(8-2-3-9(24)10(25)4-8)32-21(16)17(14)22-20(30)19(29)18(28)15(7-23)33-22/h2-6,15,18-20,22-25,27-30H,7H2,1H3/t15?,18-,19-,20?,22-/m0/s1
InChIKeyBRYZTZMVXZZLPD-UHJXJGFFSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
seed (BTO:0001226) MetaboLights (MTBLS4572)
bark (BTO:0001301) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
Isoswertiajaponin (CHEBI:191651) is a C-glycosyl compound (CHEBI:20857)
Isoswertiajaponin (CHEBI:191651) is a flavonoids (CHEBI:72544)
IUPAC Name 
2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-8-[(2S,4R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
Manual XrefsDatabases
24843988ChemSpider
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