CHEBI:190898 - 3,4,5-trihydroxy-6-({6-[(E)-2-methoxyethenyl]-7-methyl-2-oxo-2H-chromen-3-yl}oxy)oxane-2-carboxylic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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ChEBI Name 3,4,5-trihydroxy-6-({6-[(E)-2-methoxyethenyl]-7-methyl-2-oxo-2H-chromen-3-yl}oxy)oxane-2-carboxylic acid
ChEBI ID CHEBI:190898
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C19H20O10
Net Charge 0
Average Mass 408.359
Monoisotopic Mass 408.10565
InChI InChI=1S/C19H20O10/c1-8-5-11-10(6-9(8)3-4-26-2)7-12(18(25)27-11)28-19-15(22)13(20)14(21)16(29-19)17(23)24/h3-7,13-16,19-22H,1-2H3,(H,23,24)/b4-3+
InChIKey SGTWJYQCVFYKSQ-ONEGZZNKSA-N
SMILES O1C(C(O)C(O)C(O)C1OC2=CC3=C(OC2=O)C=C(C(=C3)/C=C/OC)C)C(O)=O
Metabolite of Species Details
Oryza sativa (NCBI:txid4530) Found in root (BTO:0001188). See: MetaboLights Study
ChEBI Ontology
Outgoing 3,4,5-trihydroxy-6-({6-[(E)-2-methoxyethenyl]-7-methyl-2-oxo-2H-chromen-3-yl}oxy)oxane-2-carboxylic acid (CHEBI:190898) is a coumarins (CHEBI:23403)
3,4,5-trihydroxy-6-({6-[(E)-2-methoxyethenyl]-7-methyl-2-oxo-2H-chromen-3-yl}oxy)oxane-2-carboxylic acid (CHEBI:190898) is a glycoside (CHEBI:24400)
IUPAC Name
3,4,5-trihydroxy-6-[6-[(E)-2-methoxyethenyl]-7-methyl-2-oxochromen-3-yl]oxyoxane-2-carboxylic acid
Manual Xref Database
HMDB0135804 HMDB
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