Deoxyloganic acid (CHEBI:167915)

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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	Deoxyloganic acid

ChEBI ID	CHEBI:167915

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C16H24O9

Net Charge

Average Mass

360.359

Monoisotopic Mass

360.14203

InChI

InChI=1S/C16H24O9/c1-6-2-3-7-8(14(21)22)5-23-15(10(6)7)25-16-13(20)12(19)11(18)9(4-17)24-16/h5-7,9-13,15-20H,2-4H2,1H3,(H,21,22)

InChIKey

DSXFHNSGLYXPNG-UHFFFAOYSA-N

SMILES

O(C1OC=C(C2C1C(CC2)C)C(O)=O)C3OC(C(O)C(O)C3O)CO

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	Deoxyloganic acid (CHEBI:167915) is a glycoside (CHEBI:24400) Deoxyloganic acid (CHEBI:167915) is a iridoid monoterpenoid (CHEBI:50563)

IUPAC Name

7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid