EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:185138 - Scutellarein 7-xylosyl-(1->4)rhamnoside

ChEBI IDCHEBI:185138
ChEBI NameScutellarein 7-xylosyl-(1->4)rhamnoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H28O14
Net Charge0
Average Mass564.496
Monoisotopic Mass564.14791
SMILESC[C@@H]1O[C@@H](Oc2cc3oc(-c4ccc(O)cc4)cc(=O)c3c(O)c2O)C(O)C(O)[C@H]1O[C@@H]1OC[C@@H](O)[C@H](O)C1O
InChIInChI=1S/C26H28O14/c1-9-24(40-25-22(34)18(30)13(29)8-36-25)21(33)23(35)26(37-9)39-16-7-15-17(20(32)19(16)31)12(28)6-14(38-15)10-2-4-11(27)5-3-10/h2-7,9,13,18,21-27,29-35H,8H2,1H3/t9-,13+,18-,21?,22?,23?,24-,25-,26-/m0/s1
InChIKeyPWSLQEGYLXOJNB-IOHXHIHISA-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 7-xylosyl-(1->4)rhamnoside (CHEBI:185138) is a flavonoids (CHEBI:72544)
Scutellarein 7-xylosyl-(1->4)rhamnoside (CHEBI:185138) is a glycoside (CHEBI:24400)
IUPAC Name 
7-[(2S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5,6-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Manual XrefsDatabases
24844047ChemSpider
LMPK12111111LIPID MAPS