EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:176371 - Tricin diglucuronoside

ChEBI IDCHEBI:176371
ChEBI NameTricin diglucuronoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H30O19
Net Charge0
Average Mass682.540
Monoisotopic Mass682.13813
SMILESCOc1cc(-c2cc(=O)c3c(O)cc(OC4OC(C(=O)O)C(O)C(O)C4OC4OC(C(=O)O)C(O)C(O)C4O)cc3o2)cc(OC)c1O
InChIInChI=1S/C29H30O19/c1-42-14-3-8(4-15(43-2)17(14)32)12-7-11(31)16-10(30)5-9(6-13(16)45-12)44-29-25(21(36)20(35)24(47-29)27(40)41)48-28-22(37)18(33)19(34)23(46-28)26(38)39/h3-7,18-25,28-30,32-37H,1-2H3,(H,38,39)(H,40,41)
InChIKeyRDNMWJOGZVGRGW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) leaf (BTO:0000713) MetaboLights (MTBLS2566)
ChEBI Ontology
Outgoing Relation(s)
Tricin diglucuronoside (CHEBI:176371) is a flavonoids (CHEBI:72544)
Tricin diglucuronoside (CHEBI:176371) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
6-[6-carboxy-4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxochromen-7-yl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0037460HMDB