EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:186176 - Tricetin 7,3',4',5'-trimethyl eter 5-xylosyl-(1->2)-rhamnoside

ChEBI IDCHEBI:186176
ChEBI NameTricetin 7,3',4',5'-trimethyl eter 5-xylosyl-(1->2)-rhamnoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H36O15
Net Charge0
Average Mass636.603
Monoisotopic Mass636.20542
SMILESCOc1cc(O[C@@H]2OC(C)[C@H](O)C(O)[C@@H]2O[C@@H]2OC[C@@H](O)[C@H](O)C2O)c2c(=O)cc(-c3cc(OC)c(OC)c(OC)c3)oc2c1
InChIInChI=1S/C30H36O15/c1-12-23(33)25(35)28(45-29-26(36)24(34)16(32)11-41-29)30(42-12)44-19-9-14(37-2)8-18-22(19)15(31)10-17(43-18)13-6-20(38-3)27(40-5)21(7-13)39-4/h6-10,12,16,23-26,28-30,32-36H,11H2,1-5H3/t12?,16-,23+,24+,25?,26?,28+,29+,30+/m1/s1
InChIKeyZLGRXQBYEFFILJ-JLMHFZAISA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Tricetin 7,3',4',5'-trimethyl eter 5-xylosyl-(1->2)-rhamnoside (CHEBI:186176) is a flavonoids (CHEBI:72544)
Tricetin 7,3',4',5'-trimethyl eter 5-xylosyl-(1->2)-rhamnoside (CHEBI:186176) is a glycoside (CHEBI:24400)
IUPAC Name 
5-[(2S,3S,5R)-4,5-dihydroxy-6-methyl-3-[(2S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-7-methoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
Manual XrefsDatabases
LMPK12111067LIPID MAPS
24844017ChemSpider