Infectocaryone (CHEBI:184790)

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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	Infectocaryone

ChEBI ID	CHEBI:184790

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C18H18O4

Net Charge

Average Mass

298.338

Monoisotopic Mass

298.12051

InChI

InChI=1S/C18H18O4/c1-22-17(21)12-14-8-5-9-15(19)18(14)16(20)11-10-13-6-3-2-4-7-13/h2-7,9-11,14,20H,8,12H2,1H3/b11-10+,18-16-/t14-/m1/s1

InChIKey

HAXYQNFQUDHACW-LVJWOEPNSA-N

SMILES

O/C(=C\1/[C@H](CC=CC1=O)CC(OC)=O)/C=C/C2=CC=CC=C2

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study

ChEBI Ontology
Outgoing	Infectocaryone (CHEBI:184790) is a quinomethanes (CHEBI:52404)

IUPAC Name

methyl 2-[(1R,6Z)-6-[(E)-1-hydroxy-3-phenylprop-2-enylidene]-5-oxocyclohex-3-en-1-yl]acetate