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CHEBI:166638 - Tricetin 7,3'-diglucuronide

ChEBI IDCHEBI:166638
ChEBI NameTricetin 7,3'-diglucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H26O19
Net Charge0
Average Mass654.486
Monoisotopic Mass654.10683
SMILESO=C(O)C1O[C@@H](Oc2cc(-c3cc(=O)c4c(O)cc(O[C@@H]5O[C@@H](C(=O)O)[C@@H](O)C(O)C5O)cc4o3)cc(O)c2O)C(O)C(O)[C@@H]1O
InChIInChI=1S/C27H26O19/c28-8-3-7(42-26-20(36)16(32)18(34)22(45-26)24(38)39)4-12-14(8)9(29)5-11(43-12)6-1-10(30)15(31)13(2-6)44-27-21(37)17(33)19(35)23(46-27)25(40)41/h1-5,16-23,26-28,30-37H,(H,38,39)(H,40,41)/t16?,17?,18-,19-,20?,21?,22+,23?,26+,27+/m0/s1
InChIKeyUGZWTXLNQDTBED-GIGWFZNDSA-N
ChEBI Ontology
Outgoing Relation(s)
Tricetin 7,3'-diglucuronide (CHEBI:166638) is a flavonoids (CHEBI:72544)
Tricetin 7,3'-diglucuronide (CHEBI:166638) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
(2R,3S,6S)-6-[2-[3-[(2S,5S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-4,5-dihydroxyphenyl]-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
24843858ChemSpider
LMPK12110842LIPID MAPS