Coniferyl diangelate (CHEBI:229086)

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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	Coniferyl diangelate

ChEBI ID	CHEBI:229086

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C20H24O5

Net Charge

Average Mass

344.407

Monoisotopic Mass

344.16237

InChI

InChI=1S/C20H24O5/c1-6-14(3)19(21)24-12-8-9-16-10-11-17(18(13-16)23-5)25-20(22)15(4)7-2/h6-11,13H,12H2,1-5H3/b9-8+,14-6-,15-7-

InChIKey

XBXXXXXDBUJKFO-VJFCEBIRSA-N

SMILES

O(C1=C(OC)C=C(C=C1)/C=C/COC(=O)/C(/C)=C\C)C(=O)/C(/C)=C\C

Metabolite of Species	Details
Zea mays (NCBI:txid4577)	Found in exometabolome See: MetaboLights Study

ChEBI Ontology
Outgoing	Coniferyl diangelate (CHEBI:229086) is a benzoate ester (CHEBI:36054) Coniferyl diangelate (CHEBI:229086) is a phenols (CHEBI:33853)

IUPAC Name

[(E)-3-[3-methoxy-4-[(Z)-2-methylbut-2-enoyl]oxyphenyl]prop-2-enyl] (Z)-2-methylbut-2-enoate