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CHEBI:187827 - Herbacetin 8-(2'',3'',4''-triacetylxyloside)

ChEBI IDCHEBI:187827
ChEBI NameHerbacetin 8-(2'',3'',4''-triacetylxyloside)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H24O14
Net Charge0
Average Mass560.464
Monoisotopic Mass560.11661
SMILESCC(=O)OC1[C@H](Oc2c(O)cc(O)c3c(=O)c(O)c(-c4ccc(O)cc4)oc23)OC[C@@H](OC(C)=O)[C@@H]1OC(C)=O
InChIInChI=1S/C26H24O14/c1-10(27)36-17-9-35-26(25(38-12(3)29)23(17)37-11(2)28)40-22-16(32)8-15(31)18-19(33)20(34)21(39-24(18)22)13-4-6-14(30)7-5-13/h4-8,17,23,25-26,30-32,34H,9H2,1-3H3/t17-,23+,25?,26+/m1/s1
InChIKeyUUUFLHFLFWPUFF-QRJDBZLKSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Herbacetin 8-(2'',3'',4''-triacetylxyloside) (CHEBI:187827) is a flavonoids (CHEBI:72544)
Herbacetin 8-(2'',3'',4''-triacetylxyloside) (CHEBI:187827) is a glycoside (CHEBI:24400)
IUPAC Name 
[(3R,4S,6S)-4,5-diacetyloxy-6-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]oxyoxan-3-yl] acetate
Manual XrefsDatabases
LMPK12113138LIPID MAPS
24845682ChemSpider