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CHEBI:185347 - Tricin 7-rutinoside-4'-glucoside

ChEBI IDCHEBI:185347
ChEBI NameTricin 7-rutinoside-4'-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H44O21
Net Charge0
Average Mass800.716
Monoisotopic Mass800.23751
SMILESCOc1cc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C35H44O21/c1-11-23(39)26(42)29(45)33(51-11)50-10-21-25(41)28(44)30(46)34(55-21)52-13-6-14(37)22-15(38)8-16(53-17(22)7-13)12-4-18(48-2)32(19(5-12)49-3)56-35-31(47)27(43)24(40)20(9-36)54-35/h4-8,11,20-21,23-31,33-37,39-47H,9-10H2,1-3H3/t11-,20+,21+,23-,24+,25+,26+,27-,28-,29+,30+,31+,33+,34+,35-/m0/s1
InChIKeyDTHALOCPATWECM-WWNZVPEJSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Tricin 7-rutinoside-4'-glucoside (CHEBI:185347) is a flavonoids (CHEBI:72544)
Tricin 7-rutinoside-4'-glucoside (CHEBI:185347) is a glycoside (CHEBI:24400)
IUPAC Name 
2-[3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
Manual XrefsDatabases
LMPK12110868LIPID MAPS
24843883ChemSpider