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CHEBI:86959 - veratrone

ChEBI IDCHEBI:86959
ChEBI Nameveratrone
Stars
DefinitionAn 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.
Last Modified27 July 2015
DownloadsMolfile
FormulaC18H20O6
Net Charge0
Average Mass332.352
Monoisotopic Mass332.12599
SMILESCOc1ccc(C(=O)C(CO)Oc2ccccc2OC)cc1OC
InChIInChI=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
InChIKeyLILXBGDHLUCSNI-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
veratrone acetate (CHEBI:86960) has functional parent veratrone (CHEBI:86959)
IUPAC Name 
1-(3,4-dimethoxyphenyl)-3-hydroxy-2-(2-methoxyphenoxy)propan-1-one