CHEBI:86960 - veratrone acetate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name veratrone acetate
ChEBI ID CHEBI:86960
Definition An acetate ester obtained by the formal condensation of the hydroxy group of veratrone with acetic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C20H22O7
Net Charge 0
Average Mass 374.38450
Monoisotopic Mass 374.13655
InChI InChI=1S/C20H22O7/c1-13(21)26-12-19(27-17-8-6-5-7-15(17)23-2)20(22)14-9-10-16(24-3)18(11-14)25-4/h5-11,19H,12H2,1-4H3
InChIKey ODPYOMZIVHDXSD-UHFFFAOYSA-N
SMILES COc1ccccc1OC(COC(C)=O)C(=O)c1ccc(OC)c(OC)c1
ChEBI Ontology
Outgoing veratrone acetate (CHEBI:86960) has functional parent veratrone (CHEBI:86959)
veratrone acetate (CHEBI:86960) is a acetate ester (CHEBI:47622)
veratrone acetate (CHEBI:86960) is a aromatic ketone (CHEBI:76224)
veratrone acetate (CHEBI:86960) is a dimethoxybenzene (CHEBI:51681)
IUPAC Name
3-(3,4-dimethoxyphenyl)-2-(2-methoxyphenoxy)-3-oxopropyl acetate
Last Modified
27 July 2015