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CHEBI:187721 - 5,2',4'-Trihydroxy-3,7,5'-trimethoxyflavone 2'-galactosyl-(1->4)-glucoside

ChEBI IDCHEBI:187721
ChEBI Name5,2',4'-Trihydroxy-3,7,5'-trimethoxyflavone 2'-galactosyl-(1->4)-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H36O18
Net Charge0
Average Mass684.600
Monoisotopic Mass684.19016
SMILESCOc1cc(O)c2c(=O)c(OC)c(-c3cc(OC)c(O)cc3O[C@@H]3OC(CO)[C@@H](O[C@@H]4OC(CO)[C@H](O)[C@H](O)C4O)[C@H](O)C3O)oc2c1
InChIInChI=1S/C30H36O18/c1-41-10-4-13(34)19-16(5-10)44-26(28(43-3)21(19)36)11-6-15(42-2)12(33)7-14(11)45-29-25(40)23(38)27(18(9-32)47-29)48-30-24(39)22(37)20(35)17(8-31)46-30/h4-7,17-18,20,22-25,27,29-35,37-40H,8-9H2,1-3H3/t17?,18?,20-,22-,23+,24?,25?,27+,29+,30-/m0/s1
InChIKeySFBFBTDIDWLYBW-YALKHENMSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
5,2',4'-Trihydroxy-3,7,5'-trimethoxyflavone 2'-galactosyl-(1->4)-glucoside (CHEBI:187721) is a ether (CHEBI:25698)
5,2',4'-Trihydroxy-3,7,5'-trimethoxyflavone 2'-galactosyl-(1->4)-glucoside (CHEBI:187721) is a flavonoids (CHEBI:72544)
IUPAC Name 
2-[2-[(2S,4R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-5-methoxyphenyl]-5-hydroxy-3,7-dimethoxychromen-4-one
Manual XrefsDatabases
LMPK12112737LIPID MAPS
24845379ChemSpider