CHEBI:190900 - 6-{4-[2,3-dioxo-3-(2,4,6-trihydroxy-3-methoxyphenyl)propyl]-2-methoxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

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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 6-{4-[2,3-dioxo-3-(2,4,6-trihydroxy-3-methoxyphenyl)propyl]-2-methoxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
ChEBI ID CHEBI:190900
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H24O14
Net Charge 0
Average Mass 524.431
Monoisotopic Mass 524.11661
InChI InChI=1S/C23H24O14/c1-34-13-6-8(5-10(25)15(27)14-9(24)7-11(26)20(35-2)16(14)28)3-4-12(13)36-23-19(31)17(29)18(30)21(37-23)22(32)33/h3-4,6-7,17-19,21,23-24,26,28-31H,5H2,1-2H3,(H,32,33)
InChIKey MCZGKWVVNABJDO-UHFFFAOYSA-N
SMILES O1C(C(O)C(O)C(O)C1OC2=C(OC)C=C(C=C2)CC(=O)C(=O)C3=C(O)C(OC)=C(O)C=C3O)C(O)=O
Metabolite of Species Details
Oryza sativa (NCBI:txid4530) Found in root (BTO:0001188). See: MetaboLights Study
ChEBI Ontology
Outgoing 6-{4-[2,3-dioxo-3-(2,4,6-trihydroxy-3-methoxyphenyl)propyl]-2-methoxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:190900) is a flavonoids (CHEBI:72544)
6-{4-[2,3-dioxo-3-(2,4,6-trihydroxy-3-methoxyphenyl)propyl]-2-methoxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:190900) is a glycoside (CHEBI:24400)
IUPAC Name
6-[4-[2,3-dioxo-3-(2,4,6-trihydroxy-3-methoxyphenyl)propyl]-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual Xref Database
HMDB0128786 HMDB
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