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CHEBI:176373 - Dillenetin glucoside-glucuronide

ChEBI IDCHEBI:176373
ChEBI NameDillenetin glucoside-glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H32O18
Net Charge0
Average Mass668.557
Monoisotopic Mass668.15886
SMILESCOc1ccc(-c2oc3cc(O[C@@H]4OC(C(=O)O)[C@@H](O)[C@H](O)C4O)cc(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)c3c(=O)c2O)cc1OC
InChIInChI=1S/C29H32O18/c1-41-11-4-3-9(5-12(11)42-2)25-21(35)18(32)16-13(44-25)6-10(43-28-24(38)20(34)22(36)26(47-28)27(39)40)7-14(16)45-29-23(37)19(33)17(31)15(8-30)46-29/h3-7,15,17,19-20,22-24,26,28-31,33-38H,8H2,1-2H3,(H,39,40)/t15?,17-,19+,20+,22+,23?,24?,26?,28-,29-/m1/s1
InChIKeyLRGSZBPJHRDTSP-YCIBLMSHSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) leaf (BTO:0000713) MetaboLights (MTBLS2566)
ChEBI Ontology
Outgoing Relation(s)
Dillenetin glucoside-glucuronide (CHEBI:176373) is a flavonoids (CHEBI:72544)
Dillenetin glucoside-glucuronide (CHEBI:176373) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
(3S,4S,6S)-6-[2-(3,4-dimethoxyphenyl)-3-hydroxy-4-oxo-5-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
LMPK12112410LIPID MAPS
24845101ChemSpider