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CHEBI:191571 - Natsudaidain

ChEBI IDCHEBI:191571
ChEBI NameNatsudaidain
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22O9
Net Charge0
Average Mass418.398
Monoisotopic Mass418.12638
SMILESCOc1ccc(-c2oc3c(OC)c(OC)c(OC)c(OC)c3c(=O)c2O)cc1OC
InChIInChI=1S/C21H22O9/c1-24-11-8-7-10(9-12(11)25-2)16-15(23)14(22)13-17(26-3)19(27-4)21(29-6)20(28-5)18(13)30-16/h7-9,23H,1-6H3
InChIKeyCCJBNIRSVUKABH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
bark (BTO:0001301) MetaboLights (MTBLS4572)
seed (BTO:0001226) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
Natsudaidain (CHEBI:191571) is a hydroxyflavan (CHEBI:72010)
IUPAC Name 
2-(3,4-dimethoxyphenyl)-3-hydroxy-5,6,7,8-tetramethoxychromen-4-one
Manual XrefsDatabases
2341642ChemSpider
HMDB0030160HMDB
LMPK12113344LIPID MAPS
Registry NumbersSources
CAS:35154-55-3ChemIDplus