Methyl [8]-Shogaol (CHEBI:191603)

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	Methyl [8]-Shogaol

ChEBI ID	CHEBI:191603

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C20H30O3

Net Charge

Average Mass

318.457

Monoisotopic Mass

318.21949

InChI

InChI=1S/C20H30O3/c1-4-5-6-7-8-9-10-11-18(21)14-12-17-13-15-19(22-2)20(16-17)23-3/h10-11,13,15-16H,4-9,12,14H2,1-3H3/b11-10+

InChIKey

ZNOLGYFCFIVHQI-ZHACJKMWSA-N

SMILES

O=C(CCC1=CC(OC)=C(OC)C=C1)\C=C\CCCCCCC

Metabolite of Species	Details
Ulmus parvifolia (NCBI:txid63058)	Found in bark (BTO:0001301). See: MetaboLights Study
Ulmus parvifolia (NCBI:txid63058)	Found in seed (BTO:0001226). See: MetaboLights Study

ChEBI Ontology
Outgoing	Methyl [8]-Shogaol (CHEBI:191603) is a dimethoxybenzene (CHEBI:51681)

IUPAC Name

(E)-1-(3,4-dimethoxyphenyl)dodec-4-en-3-one