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CHEBI:185908 - 6'',6''-Dimethylpyraono[2'',3'':7,8]kaempferol 4'-methyl ether 3-rhamnoside

Default Structure
ChEBI IDCHEBI:185908
ChEBI Name6'',6''-Dimethylpyraono[2'',3'':7,8]kaempferol 4'-methyl ether 3-rhamnoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H28O10
Net Charge0
Average Mass512.511
Monoisotopic Mass512.16825
SMILESCOc1ccc(-c2oc3c4c(cc(O)c3c(=O)c2O[C@@H]2OC(C)[C@H](O)C(O)[C@@H]2O)OC(C)(C)C=C4)cc1
InChIInChI=1S/C27H28O10/c1-12-19(29)21(31)22(32)26(34-12)36-25-20(30)18-16(28)11-17-15(9-10-27(2,3)37-17)24(18)35-23(25)13-5-7-14(33-4)8-6-13/h5-12,19,21-22,26,28-29,31-32H,1-4H3/t12?,19-,21?,22-,26-/m0/s1
InChIKeyHFACBAJBHOSYOZ-YXGZRXAKSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
6'',6''-Dimethylpyraono[2'',3'':7,8]kaempferol 4'-methyl ether 3-rhamnoside (CHEBI:185908) is a flavonoids (CHEBI:72544)
6'',6''-Dimethylpyraono[2'',3'':7,8]kaempferol 4'-methyl ether 3-rhamnoside (CHEBI:185908) is a glycoside (CHEBI:24400)
IUPAC Name 
5-hydroxy-2-(4-methoxyphenyl)-8,8-dimethyl-3-[(2S,3S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxypyrano[2,3-h]chromen-4-one
Manual XrefsDatabases
24844762ChemSpider
LMPK12112035LIPID MAPS