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CHEBI:178190 - Tricin 7-[sinapoyl-(->2)-glucuronyl-(1->2)-glucuronide]

ChEBI IDCHEBI:178190
ChEBI NameTricin 7-[sinapoyl-(->2)-glucuronyl-(1->2)-glucuronide]
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H40O23
Net Charge0
Average Mass888.737
Monoisotopic Mass888.19604
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)cc(OC)c1O
InChIInChI=1S/C40H40O23/c1-54-21-7-14(8-22(55-2)27(21)44)5-6-25(43)60-35-31(48)29(46)34(38(52)53)62-40(35)63-36-32(49)30(47)33(37(50)51)61-39(36)58-16-11-17(41)26-18(42)13-19(59-20(26)12-16)15-9-23(56-3)28(45)24(10-15)57-4/h5-13,29-36,39-41,44-49H,1-4H3,(H,50,51)(H,52,53)/b6-5+
InChIKeyTUGAMOQNDVOVML-AATRIKPKSA-N
Species of MetaboliteComponentSourceComments
Arisaema erubescens (ncbitaxon:228806) bulb (BTO:0000159) MetaboLights (MTBLS2858)
ChEBI Ontology
Outgoing Relation(s)
Tricin 7-[sinapoyl-(->2)-glucuronyl-(1->2)-glucuronide] (CHEBI:178190) is a flavonoids (CHEBI:72544)
Tricin 7-[sinapoyl-(->2)-glucuronyl-(1->2)-glucuronide] (CHEBI:178190) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
5-[6-carboxy-4,5-dihydroxy-3-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)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
HMDB0039907HMDB