CHEBI:168058 - 3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide

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ChEBI Name 3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide
ChEBI ID CHEBI:168058
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H22O14
Net Charge 0
Average Mass 522.415
Monoisotopic Mass 522.10096
InChI InChI=1S/C23H22O14/c1-33-9-5-7(3-4-8(9)24)19-20(36-23-18(30)16(28)17(29)21(37-23)22(31)32)15(27)12-10(35-19)6-11(34-2)13(25)14(12)26/h3-6,16-18,21,23-26,28-30H,1-2H3,(H,31,32)
InChIKey VEAQUGWEICGLMM-UHFFFAOYSA-N
SMILES O1C(OC2=C(OC=3C(C2=O)=C(O)C(O)=C(OC)C3)C4=CC(OC)=C(O)C=C4)C(O)C(O)C(O)C1C(O)=O
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing 3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide (CHEBI:168058) is a flavonoids (CHEBI:72544)
3,4',5,6-Tetrahydroxy-3',7-dimethoxyflavone 3-glucuronide (CHEBI:168058) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name
6-[5,6-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual Xref Database
HMDB0038262 HMDB
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