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CHEBI:185136 - Herbacetin 8,4'-dixyloside

ChEBI IDCHEBI:185136
ChEBI NameHerbacetin 8,4'-dixyloside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H26O15
Net Charge0
Average Mass566.468
Monoisotopic Mass566.12717
SMILESO=c1c(O)c(-c2ccc(O[C@@H]3OC[C@@H](O)C(O)C3O)cc2)oc2c(O[C@@H]3OC[C@@H](O)[C@H](O)C3O)c(O)cc(O)c12
InChIInChI=1S/C25H26O15/c26-10-5-11(27)22(40-25-20(35)16(31)13(29)7-37-25)23-14(10)17(32)18(33)21(39-23)8-1-3-9(4-2-8)38-24-19(34)15(30)12(28)6-36-24/h1-5,12-13,15-16,19-20,24-31,33-35H,6-7H2/t12-,13-,15?,16+,19?,20?,24+,25+/m1/s1
InChIKeySGPXUDNIMAZUQQ-OLDAOOSWSA-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 8,4'-dixyloside (CHEBI:185136) is a flavonoids (CHEBI:72544)
Herbacetin 8,4'-dixyloside (CHEBI:185136) is a glycoside (CHEBI:24400)
IUPAC Name 
3,5,7-trihydroxy-8-[(2S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-2-[4-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]chromen-4-one
Manual XrefsDatabases
24845674ChemSpider
LMPK12113130LIPID MAPS