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CHEBI:190067 - Natsudaidain 3-(4-O-3-hydroxy-3-methylglutaroylglucoside)

ChEBI IDCHEBI:190067
ChEBI NameNatsudaidain 3-(4-O-3-hydroxy-3-methylglutaroylglucoside)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H40O18
Net Charge0
Average Mass724.665
Monoisotopic Mass724.22146
SMILESCOc1ccc(-c2oc3c(OC)c(OC)c(OC)c(OC)c3c(=O)c2OC2OC(CO)C(OC(=O)CC(C)(O)CC(=O)O)C(O)C2O)cc1OC
InChIInChI=1S/C33H40O18/c1-33(41,11-18(35)36)12-19(37)49-25-17(13-34)48-32(23(40)22(25)39)51-28-21(38)20-26(44-4)29(45-5)31(47-7)30(46-6)27(20)50-24(28)14-8-9-15(42-2)16(10-14)43-3/h8-10,17,22-23,25,32,34,39-41H,11-13H2,1-7H3,(H,35,36)
InChIKeyCVXKGASPLHAFDX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Brassica napus (ncbitaxon:3708) flower (BTO:0000469) MetaboLights (MTBLS3950)
ChEBI Ontology
Outgoing Relation(s)
Natsudaidain 3-(4-O-3-hydroxy-3-methylglutaroylglucoside) (CHEBI:190067) is a flavonoids (CHEBI:72544)
Natsudaidain 3-(4-O-3-hydroxy-3-methylglutaroylglucoside) (CHEBI:190067) is a glycoside (CHEBI:24400)
IUPAC Name 
5-[6-[2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3-hydroxy-3-methyl-5-oxopentanoic acid
Manual XrefsDatabases
HMDB0040812HMDB