(E)-7-(4-Methoxy-5-methyl-6-oxopyran-2-yl)-5-methyloct-6-enoic acid (CHEBI:181854)

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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	(E)-7-(4-Methoxy-5-methyl-6-oxopyran-2-yl)-5-methyloct-6-enoic acid

ChEBI ID	CHEBI:181854

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C16H22O5

Net Charge

Average Mass

294.347

Monoisotopic Mass

294.14672

InChI

InChI=1S/C16H22O5/c1-10(6-5-7-15(17)18)8-11(2)13-9-14(20-4)12(3)16(19)21-13/h8-10H,5-7H2,1-4H3,(H,17,18)/b11-8+

InChIKey

HXLDSEPZKLJMIQ-DHZHZOJOSA-N

SMILES

O1C(\C(=C\C(CCCC(O)=O)C)\C)=CC(OC)=C(C1=O)C

Metabolite of Species	Details
Cucumis melo (NCBI:txid3656)	Found in seed (BTO:0001226). See: MetaboLights Study

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	(E)-7-(4-Methoxy-5-methyl-6-oxopyran-2-yl)-5-methyloct-6-enoic acid (CHEBI:181854) is a medium-chain fatty acid (CHEBI:59554)

IUPAC Name

(E)-7-(4-methoxy-5-methyl-6-oxopyran-2-yl)-5-methyloct-6-enoic acid