7-Epi-12-hydroxyjasmonic acid glucoside (CHEBI:171859)

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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	7-Epi-12-hydroxyjasmonic acid glucoside

ChEBI ID	CHEBI:171859

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C18H28O9

Net Charge

Average Mass

388.413

Monoisotopic Mass

388.17333

InChI

InChI=1S/C18H28O9/c19-9-13-15(23)16(24)17(25)18(27-13)26-7-3-1-2-4-11-10(8-14(21)22)5-6-12(11)20/h1-2,10-11,13,15-19,23-25H,3-9H2,(H,21,22)/b2-1+

InChIKey

JFDNMLUPLXZXGV-OWOJBTEDSA-N

SMILES

O1C(C(O)C(O)C(O)C1OCC\C=C\CC2C(CCC2=O)CC(O)=O)CO

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in Pooled sample (NCIT:C45910). See: MetaboLights Study
Homo sapiens (NCBI:txid9606)	Found in blood plasma (BTO:0000131). See: MetaboLights Study

ChEBI Ontology
Outgoing	7-Epi-12-hydroxyjasmonic acid glucoside (CHEBI:171859) is a O-acyl carbohydrate (CHEBI:52782)

IUPAC Name

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