CHEBI:226593 - Actofunicone

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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 Actofunicone
ChEBI ID CHEBI:226593
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H22O9
Net Charge 0
Average Mass 418.398
Monoisotopic Mass 418.12638
InChI InChI=1S/C21H22O9/c1-11(30-12(2)22)6-14-8-17(23)16(10-29-14)20(24)19-15(21(25)28-5)7-13(26-3)9-18(19)27-4/h7-11H,6H2,1-5H3/t11-/m0/s1
InChIKey VSHBHDIKPQHDHQ-NSHDSACASA-N
SMILES O=C1C(C(=O)C2=C(OC)C=C(OC)C=C2C(=O)OC)=COC(=C1)C[C@@H](OC(=O)C)C
Metabolite of Species Details
Talaromyces (NCBI:txid5094) See: PubMed
ChEBI Ontology
Outgoing Actofunicone (CHEBI:226593) is a aromatic ketone (CHEBI:76224)
IUPAC Name
methyl 2-[6-[(2S)-2-acetyloxypropyl]-4-oxopyran-3-carbonyl]-3,5-dimethoxybenzoate
Manual Xref Database
32698521 ChemSpider
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