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CHEBI:186202 - 8-Prenylquercetin 7,4'-dimethyl ether 3-rhamnosyl-(1->4)-rhamnoside

ChEBI IDCHEBI:186202
ChEBI Name8-Prenylquercetin 7,4'-dimethyl ether 3-rhamnosyl-(1->4)-rhamnoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H42O15
Net Charge0
Average Mass690.695
Monoisotopic Mass690.25237
SMILESCOc1ccc(-c2oc3c(CC=C(C)C)c(OC)cc(O)c3c(=O)c2O[C@@H]2OC(C)[C@H](O[C@@H]3OC(C)[C@H](O)C(O)[C@@H]3O)C(O)[C@@H]2O)cc1O
InChIInChI=1S/C34H42O15/c1-13(2)7-9-17-21(44-6)12-19(36)22-24(38)32(30(47-31(17)22)16-8-10-20(43-5)18(35)11-16)49-34-28(42)26(40)29(15(4)46-34)48-33-27(41)25(39)23(37)14(3)45-33/h7-8,10-12,14-15,23,25-29,33-37,39-42H,9H2,1-6H3/t14?,15?,23-,25?,26?,27-,28-,29-,33-,34-/m0/s1
InChIKeyNSBMHMYRKNRGCQ-VZVOGRHGSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
8-Prenylquercetin 7,4'-dimethyl ether 3-rhamnosyl-(1->4)-rhamnoside (CHEBI:186202) is a flavonoids (CHEBI:72544)
8-Prenylquercetin 7,4'-dimethyl ether 3-rhamnosyl-(1->4)-rhamnoside (CHEBI:186202) is a glycoside (CHEBI:24400)
IUPAC Name 
3-[(2S,3S,5R)-3,4-dihydroxy-6-methyl-5-[(2S,3S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-8-(3-methylbut-2-enyl)chromen-4-one
Manual XrefsDatabases
24845312ChemSpider
LMPK12112644LIPID MAPS