CHEBI:86959 - veratrone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name veratrone
ChEBI ID CHEBI:86959
Definition An aromatic ketone that is propanone substituted by a 3,4-dimethoxyphenyl group at position 1, a hydroxy group at position 3 and a 2-methoxyphenoxy group at position 2 respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C18H20O6
Net Charge 0
Average Mass 332.34780
Monoisotopic Mass 332.12599
InChI InChI=1S/C18H20O6/c1-21-13-6-4-5-7-15(13)24-17(11-19)18(20)12-8-9-14(22-2)16(10-12)23-3/h4-10,17,19H,11H2,1-3H3
InChIKey LILXBGDHLUCSNI-UHFFFAOYSA-N
SMILES COc1ccccc1OC(CO)C(=O)c1ccc(OC)c(OC)c1
ChEBI Ontology
Outgoing veratrone (CHEBI:86959) is a aromatic ketone (CHEBI:76224)
veratrone (CHEBI:86959) is a dimethoxybenzene (CHEBI:51681)
veratrone (CHEBI:86959) is a primary alcohol (CHEBI:15734)
Incoming veratrone acetate (CHEBI:86960) has functional parent veratrone (CHEBI:86959)
IUPAC Name
1-(3,4-dimethoxyphenyl)-3-hydroxy-2-(2-methoxyphenoxy)propan-1-one
Last Modified
27 July 2015