CHEBI:191468 - 3,5,6-Trihydroxy-3',4',7-trimethoxyflavone 3-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 3,5,6-Trihydroxy-3',4',7-trimethoxyflavone 3-glucuronide
ChEBI ID CHEBI:191468
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H24O14
Net Charge 0
Average Mass 536.442
Monoisotopic Mass 536.11661
InChI InChI=1S/C24H24O14/c1-33-9-5-4-8(6-10(9)34-2)20-21(37-24-19(30)17(28)18(29)22(38-24)23(31)32)16(27)13-11(36-20)7-12(35-3)14(25)15(13)26/h4-7,17-19,22,24-26,28-30H,1-3H3,(H,31,32)
InChIKey LURNGPWLQCDCBE-UHFFFAOYSA-N
SMILES O1C(OC2=C(OC=3C(C2=O)=C(O)C(O)=C(OC)C3)C4=CC(OC)=C(OC)C=C4)C(O)C(O)C(O)C1C(O)=O
Metabolite of Species Details
Ulmus parvifolia (NCBI:txid63058) Found in seed (BTO:0001226). See: MetaboLights Study
Ulmus parvifolia (NCBI:txid63058) Found in bark (BTO:0001301). See: MetaboLights Study
ChEBI Ontology
Outgoing 3,5,6-Trihydroxy-3',4',7-trimethoxyflavone 3-glucuronide (CHEBI:191468) is a flavonoids (CHEBI:72544)
3,5,6-Trihydroxy-3',4',7-trimethoxyflavone 3-glucuronide (CHEBI:191468) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name
6-[2-(3,4-dimethoxyphenyl)-5,6-dihydroxy-7-methoxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual Xref Database
HMDB0038264 HMDB
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