(4E)-1,7-bis(3,4-dihydroxyphenyl)hept-4-en-3-one (CHEBI:183478)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

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	(4E)-1,7-bis(3,4-dihydroxyphenyl)hept-4-en-3-one

ChEBI ID	CHEBI:183478

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C19H20O5

Net Charge

Average Mass

328.364

Monoisotopic Mass

328.13107

InChI

InChI=1S/C19H20O5/c20-15(8-5-14-7-10-17(22)19(24)12-14)4-2-1-3-13-6-9-16(21)18(23)11-13/h2,4,6-7,9-12,21-24H,1,3,5,8H2/b4-2+

InChIKey

VWHYFMQKJYFLCC-DUXPYHPUSA-N

SMILES

O=C(CCC1=CC(O)=C(O)C=C1)\C=C\CCC2=CC(O)=C(O)C=C2

Metabolite of Species	Details
Bombus terrestris (NCBI:txid30195)	Found in hindgut (BTO:0000510). See: MetaboLights Study
Bombus terrestris (NCBI:txid30195)	Found in hemolymph (BTO:0000572). See: MetaboLights Study
Bombus terrestris (NCBI:txid30195)	Found in brain (BTO:0000142). See: MetaboLights Study

Roles Classification
Biological Role(s):	plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. (via diarylheptanoid )

ChEBI Ontology
Outgoing	(4E)-1,7-bis(3,4-dihydroxyphenyl)hept-4-en-3-one (CHEBI:183478) is a diarylheptanoid (CHEBI:78802)

IUPAC Name

(E)-1,7-bis(3,4-dihydroxyphenyl)hept-4-en-3-one

Registry Number	Type	Source
41137-87-5	CAS Registry Number	ChemIDplus