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CHEBI:191528 - Natsudaidain 3-glucoside

ChEBI IDCHEBI:191528
ChEBI NameNatsudaidain 3-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H32O14
Net Charge0
Average Mass580.539
Monoisotopic Mass580.17921
SMILESCOc1ccc(-c2oc3c(OC)c(OC)c(OC)c(OC)c3c(=O)c2OC2OC(CO)C(O)C(O)C2O)cc1OC
InChIInChI=1S/C27H32O14/c1-33-12-8-7-11(9-13(12)34-2)20-23(41-27-19(32)18(31)16(29)14(10-28)39-27)17(30)15-21(35-3)24(36-4)26(38-6)25(37-5)22(15)40-20/h7-9,14,16,18-19,27-29,31-32H,10H2,1-6H3
InChIKeyMSTIUVOQDAVXIA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
seed (BTO:0001226) MetaboLights (MTBLS4572)
bark (BTO:0001301) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
Natsudaidain 3-glucoside (CHEBI:191528) is a flavonoids (CHEBI:72544)
Natsudaidain 3-glucoside (CHEBI:191528) is a glycoside (CHEBI:24400)
IUPAC Name 
2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Manual XrefsDatabases
HMDB0040507HMDB