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CHEBI:190330 - Tricin 7-[feruloyl-(->2)-glucuronyl-(1->2)-glucuronide]

ChEBI IDCHEBI:190330
ChEBI NameTricin 7-[feruloyl-(->2)-glucuronyl-(1->2)-glucuronide]
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H38O22
Net Charge0
Average Mass858.711
Monoisotopic Mass858.18547
SMILESCOc1cc(/C=C/C(=O)OC2C(OC3C(Oc4cc(O)c5c(=O)cc(-c6cc(OC)c(O)c(OC)c6)oc5c4)OC(C(=O)O)C(O)C3O)OC(C(=O)O)C(O)C2O)ccc1O
InChIInChI=1S/C39H38O22/c1-53-21-8-14(4-6-17(21)40)5-7-25(43)58-34-30(47)28(45)33(37(51)52)60-39(34)61-35-31(48)29(46)32(36(49)50)59-38(35)56-16-11-18(41)26-19(42)13-20(57-22(26)12-16)15-9-23(54-2)27(44)24(10-15)55-3/h4-13,28-35,38-41,44-48H,1-3H3,(H,49,50)(H,51,52)/b7-5+
InChIKeyJYRTYJUTHIUANS-FNORWQNLSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) intestinal content (NCIT:C189653) MetaboLights (MTBLS4101) Strain: C57BL/6J  [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
Tricin 7-[feruloyl-(->2)-glucuronyl-(1->2)-glucuronide] (CHEBI:190330) is a flavonoids (CHEBI:72544)
Tricin 7-[feruloyl-(->2)-glucuronyl-(1->2)-glucuronide] (CHEBI:190330) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
5-[6-carboxy-4,5-dihydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-[5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0039906HMDB