CHEBI:176373 - Dillenetin glucoside-glucuronide

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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 Dillenetin glucoside-glucuronide
ChEBI ID CHEBI:176373
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C29H32O18
Net Charge 0
Average Mass 668.557
Monoisotopic Mass 668.15886
InChI InChI=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
InChIKey LRGSZBPJHRDTSP-YCIBLMSHSA-N
SMILES O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C3=C(OC(=C(O)C3=O)C4=CC(OC)=C(OC)C=C4)C=C(O[C@@H]5OC([C@@H](O)[C@H](O)C5O)C(O)=O)C2)CO
Metabolite of Species Details
Zea mays (NCBI:txid4577) Found in leaf (BTO:0000713). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
24845101 ChemSpider
LMPK12112410 LIPID MAPS
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