Ethyl 7-epi-12-hydroxyjasmonate glucoside (CHEBI:168758)

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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	Ethyl 7-epi-12-hydroxyjasmonate glucoside

ChEBI ID	CHEBI:168758

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C20H32O9

Net Charge

Average Mass

416.467

Monoisotopic Mass

416.20463

InChI

InChI=1S/C20H32O9/c1-2-27-16(23)10-12-7-8-14(22)13(12)6-4-3-5-9-28-20-19(26)18(25)17(24)15(11-21)29-20/h3-4,12-13,15,17-21,24-26H,2,5-11H2,1H3/b4-3+

InChIKey

DALGUVBWVCFIPV-ONEGZZNKSA-N

SMILES

O1C(C(O)C(O)C(O)C1OCC\C=C\CC2C(CCC2=O)CC(OCC)=O)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	Ethyl 7-epi-12-hydroxyjasmonate glucoside (CHEBI:168758) is a O-acyl carbohydrate (CHEBI:52782)

IUPAC Name

ethyl 2-[3-oxo-2-[(E)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypent-2-enyl]cyclopentyl]acetate

Synonym	Source
Ethyl {2-[(2E)-5-(hexopyranosyloxy)-2-penten-1-yl]-3-oxocyclopentyl}acetate	ChEBI

Last Modified

21 August 2023