CHEBI:174643 - [8]-Shogaol

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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 [8]-Shogaol
ChEBI ID CHEBI:174643
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H28O3
Net Charge 0
Average Mass 304.430
Monoisotopic Mass 304.20384
InChI InChI=1S/C19H28O3/c1-3-4-5-6-7-8-9-10-17(20)13-11-16-12-14-18(21)19(15-16)22-2/h9-10,12,14-15,21H,3-8,11,13H2,1-2H3/b10-9+
InChIKey LGZSMXJRMTYABD-MDZDMXLPSA-N
SMILES O=C(CCC1=CC(OC)=C(O)C=C1)\C=C\CCCCCCC
ChEBI Ontology
Outgoing [8]-Shogaol (CHEBI:174643) is a enone (CHEBI:51689)
[8]-Shogaol (CHEBI:174643) is a monomethoxybenzene (CHEBI:25235)
[8]-Shogaol (CHEBI:174643) is a phenols (CHEBI:33853)
IUPAC Name
(E)-1-(4-hydroxy-3-methoxyphenyl)dodec-4-en-3-one
Manual Xrefs Databases
4946630 ChemSpider
HMDB0031464 HMDB
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Registry Number Type Source
36700-45-5 CAS Registry Number ChemIDplus