CHEBI:167974 - 3,4,5-trihydroxy-6-{[3-(hydroxymethyl)-1-oxo-1H-isochromen-7-yl]oxy}oxane-2-carboxylic acid

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ChEBI Name 3,4,5-trihydroxy-6-{[3-(hydroxymethyl)-1-oxo-1H-isochromen-7-yl]oxy}oxane-2-carboxylic acid
ChEBI ID CHEBI:167974
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H16O10
Net Charge 0
Average Mass 368.294
Monoisotopic Mass 368.07435
InChI InChI=1S/C16H16O10/c17-5-8-3-6-1-2-7(4-9(6)15(23)24-8)25-16-12(20)10(18)11(19)13(26-16)14(21)22/h1-4,10-13,16-20H,5H2,(H,21,22)
InChIKey VTPPXCWEZVDYJO-UHFFFAOYSA-N
SMILES O1C(OC2=CC3=C(C=C2)C=C(OC3=O)CO)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-trihydroxy-6-{[3-(hydroxymethyl)-1-oxo-1H-isochromen-7-yl]oxy}oxane-2-carboxylic acid (CHEBI:167974) is a glycoside (CHEBI:24400)
IUPAC Name
3,4,5-trihydroxy-6-[3-(hydroxymethyl)-1-oxoisochromen-7-yl]oxyoxane-2-carboxylic acid
Manual Xref Database
HMDB0128633 HMDB
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