CHEBI:190762 - 6-[1-carboxy-2-(4-methoxy-1-benzofuran-5-yl)-2-oxoethyl]-3,4,5-trihydroxyoxane-2-carboxylic acid

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ChEBI Name 6-[1-carboxy-2-(4-methoxy-1-benzofuran-5-yl)-2-oxoethyl]-3,4,5-trihydroxyoxane-2-carboxylic acid
ChEBI ID CHEBI:190762
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H18O11
Net Charge 0
Average Mass 410.331
Monoisotopic Mass 410.08491
InChI InChI=1S/C18H18O11/c1-27-14-6-4-5-28-8(6)3-2-7(14)10(19)9(17(23)24)15-12(21)11(20)13(22)16(29-15)18(25)26/h2-5,9,11-13,15-16,20-22H,1H3,(H,23,24)(H,25,26)
InChIKey KNQNRYICSYYPEJ-UHFFFAOYSA-N
SMILES O1C(C(O)C(O)C(O)C1C(O)=O)C(C(=O)C2=C(OC)C3=C(OC=C3)C=C2)C(O)=O
Metabolite of Species Details
Oryza sativa (NCBI:txid4530) Found in root (BTO:0001188). See: MetaboLights Study
ChEBI Ontology
Outgoing 6-[1-carboxy-2-(4-methoxy-1-benzofuran-5-yl)-2-oxoethyl]-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:190762) is a C-glycosyl compound (CHEBI:20857)
IUPAC Name
6-[1-carboxy-2-(4-methoxy-1-benzouran-5-yl)-2-oxoethyl]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual Xref Database
HMDB0129405 HMDB
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