CHEBI:188707 - Ethyl (2,3,4-trimethoxy-6-octanoylphenyl)acetate

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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 Ethyl (2,3,4-trimethoxy-6-octanoylphenyl)acetate
ChEBI ID CHEBI:188707
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H32O6
Net Charge 0
Average Mass 380.481
Monoisotopic Mass 380.21989
InChI InChI=1S/C21H32O6/c1-6-8-9-10-11-12-17(22)15-13-18(24-3)21(26-5)20(25-4)16(15)14-19(23)27-7-2/h13H,6-12,14H2,1-5H3
InChIKey WCYMJQXRLIDSAQ-UHFFFAOYSA-N
SMILES O=C(CCCCCCC)C=1C(=C(OC)C(OC)=C(OC)C1)CC(OCC)=O
Metabolite of Species Details
Phyllostachys violascens (NCBI:txid1903417) Found in stem (BTO:0001300). of strain Phyllostachys violascens cv. Viridisulcata See: MetaboLights Study
ChEBI Ontology
Outgoing Ethyl (2,3,4-trimethoxy-6-octanoylphenyl)acetate (CHEBI:188707) is a aromatic ketone (CHEBI:76224)
IUPAC Name
ethyl 2-(2,3,4-trimethoxy-6-octanoylphenyl)acetate
Manual Xrefs Databases
28290377 ChemSpider
TMY PDBeChem
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