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CHEBI:186380 - Vitexin 4'-O-glucoside-2''-O-rhamnoside

ChEBI IDCHEBI:186380
ChEBI NameVitexin 4'-O-glucoside-2''-O-rhamnoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H40O19
Net Charge0
Average Mass740.664
Monoisotopic Mass740.21638
SMILES[H][C@@]1(c2c(O)cc(O)c3c(=O)cc(-c4ccc(O[C@@H]5OC(CO)[C@@H](O)C(O)C5O)cc4)oc23)OC(CO)[C@@H](O)[C@H](O)C1O[C@@H]1OC(C)[C@H](O)[C@H](O)C1O
InChIInChI=1S/C33H40O19/c1-10-21(39)24(42)27(45)32(47-10)52-31-26(44)23(41)17(8-34)50-30(31)20-14(37)6-13(36)19-15(38)7-16(49-29(19)20)11-2-4-12(5-3-11)48-33-28(46)25(43)22(40)18(9-35)51-33/h2-7,10,17-18,21-28,30-37,39-46H,8-9H2,1H3/t10?,17?,18?,21-,22+,23+,24-,25?,26-,27?,28?,30-,31?,32-,33+/m0/s1
InChIKeyLJDOSKINEPZMJE-OKNFIAIGSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Vitexin 4'-O-glucoside-2''-O-rhamnoside (CHEBI:186380) is a flavonoids (CHEBI:72544)
Vitexin 4'-O-glucoside-2''-O-rhamnoside (CHEBI:186380) is a glycoside (CHEBI:24400)
IUPAC Name 
8-[(2S,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-[4-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
Manual XrefsDatabases
LMPK12110299LIPID MAPS
24843353ChemSpider