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CHEBI:187390 - Scutellarein 6,7,4'-trimethyl ether 5-(6'''-acetylglucosyl)(1->3)-galactoside

ChEBI IDCHEBI:187390
ChEBI NameScutellarein 6,7,4'-trimethyl ether 5-(6'''-acetylglucosyl)(1->3)-galactoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H40O16
Net Charge0
Average Mass692.667
Monoisotopic Mass692.23164
SMILESCCC1O[C@@H](Oc2c(OC)c(OC)cc3oc(-c4ccc(OC)cc4)cc(=O)c23)C(O)[C@@H](O[C@@H]2OC(COC(C)=O)[C@@H](O)[C@H](O)C2O)[C@H]1O
InChIInChI=1S/C33H40O16/c1-6-18-25(37)31(49-32-27(39)26(38)24(36)22(47-32)13-44-14(2)34)28(40)33(46-18)48-30-23-17(35)11-19(15-7-9-16(41-3)10-8-15)45-20(23)12-21(42-4)29(30)43-5/h7-12,18,22,24-28,31-33,36-40H,6,13H2,1-5H3/t18?,22?,24-,25+,26+,27?,28?,31+,32+,33+/m1/s1
InChIKeyQFXHCWNKYNSVJF-NCZZGLEWSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Scutellarein 6,7,4'-trimethyl ether 5-(6'''-acetylglucosyl)(1->3)-galactoside (CHEBI:187390) is a flavonoids (CHEBI:72544)
Scutellarein 6,7,4'-trimethyl ether 5-(6'''-acetylglucosyl)(1->3)-galactoside (CHEBI:187390) is a glycoside (CHEBI:24400)
IUPAC Name 
[(3S,4S,6S)-6-[(2S,4S,5S)-2-[6,7-dimethoxy-2-(4-methoxyphenyl)-4-oxochromen-5-yl]oxy-6-ethyl-3,5-dihydroxyoxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate
Manual XrefsDatabases
24844077ChemSpider
LMPK12111142LIPID MAPS