CHEBI:166638 - Tricetin 7,3'-diglucuronide

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Tricetin 7,3'-diglucuronide
ChEBI ID CHEBI:166638
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C27H26O19
Net Charge 0
Average Mass 654.486
Monoisotopic Mass 654.10683
InChI InChI=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
InChIKey UGZWTXLNQDTBED-GIGWFZNDSA-N
SMILES O1C([C@@H](O)C(O)C(O)[C@@H]1OC2=CC(C=3OC4=CC(O[C@@H]5O[C@H]([C@@H](O)C(O)C5O)C(O)=O)=CC(O)=C4C(=O)C3)=CC(O)=C2O)C(O)=O
ChEBI Ontology
Outgoing 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 Xrefs Databases
24843858 ChemSpider
LMPK12110842 LIPID MAPS
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