Gelastatin B (CHEBI:208652)

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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	Gelastatin B

ChEBI ID	CHEBI:208652

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

Submitter	MetaboLights

Supplier Information

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Formula

C14H16O4

Net Charge

Average Mass

248.278

Monoisotopic Mass

248.10486

InChI

InChI=1S/C14H16O4/c1-2-3-4-5-6-11-9-12(7-8-13(15)16)14(17)18-10-11/h2-6,9H,7-8,10H2,1H3,(H,15,16)/b3-2+,5-4+,11-6-

InChIKey

ACFXHMLFZGREFW-FOZCRLHDSA-N

SMILES

O=C1OC\C(=C/C=C/C=C/C)\C=C1CCC(=O)O

Metabolite of Species	Details
Westerdykella multispora (NCBI:txid325664)	See: PubMed

ChEBI Ontology
Outgoing	Gelastatin B (CHEBI:208652) is a pyranone (CHEBI:37963)

IUPAC Name

3-[(5Z)-5-[(2E,4E)-hexa-2,4-dienylidene]-2-oxopyran-3-yl]propanoic acid