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CHEBI:188085 - Myricetin 3-(2'',3'',4''-triacetylxyloside)

ChEBI IDCHEBI:188085
ChEBI NameMyricetin 3-(2'',3'',4''-triacetylxyloside)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H24O15
Net Charge0
Average Mass576.463
Monoisotopic Mass576.11152
SMILESCC(=O)OC1[C@H](Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)OC[C@@H](OC(C)=O)[C@@H]1OC(C)=O
InChIInChI=1S/C26H24O15/c1-9(27)37-18-8-36-26(25(39-11(3)29)23(18)38-10(2)28)41-24-21(35)19-14(31)6-13(30)7-17(19)40-22(24)12-4-15(32)20(34)16(33)5-12/h4-7,18,23,25-26,30-34H,8H2,1-3H3/t18-,23+,25?,26+/m1/s1
InChIKeyGKPQKEFGTHNHKX-SORZPGIJSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
ChEBI Ontology
Outgoing Relation(s)
Myricetin 3-(2'',3'',4''-triacetylxyloside) (CHEBI:188085) is a flavonoids (CHEBI:72544)
Myricetin 3-(2'',3'',4''-triacetylxyloside) (CHEBI:188085) is a glycoside (CHEBI:24400)
IUPAC Name 
[(3R,4S,6S)-4,5-diacetyloxy-6-[5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)chromen-3-yl]oxyoxan-3-yl] acetate
Manual XrefsDatabases
24845155ChemSpider
LMPK12112467LIPID MAPS