CHEBI:110179 - 2-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-2,3-dihydropyran-6-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-2,3-dihydropyran-6-one
ChEBI ID CHEBI:110179
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C16H20O5
Net Charge 0
Average Mass 292.328
Monoisotopic Mass 292.13107
InChI InChI=1S/C16H20O5/c1-18-13-9-12(21-16(17)10-13)6-4-11-5-7-14(19-2)15(8-11)20-3/h5,7-8,10,12H,4,6,9H2,1-3H3
InChIKey HEURTYMJWQPWNN-UHFFFAOYSA-N
SMILES COC1=CC(=O)OC(C1)CCC2=CC(=C(C=C2)OC)OC
ChEBI Ontology
Outgoing 2-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-2,3-dihydropyran-6-one (CHEBI:110179) is a 2-pyranones (CHEBI:75885)
2-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-2,3-dihydropyran-6-one (CHEBI:110179) is a aromatic ether (CHEBI:35618)
Manual Xrefs Databases
HMDB0030767 HMDB
LSM-21618 LINCS
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