CHEBI:213254 - 1-(2′-Hydroxy-4′-methoxy-5′-hydroxymethylphenyl)-E-4-hexen1-one

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ChEBI Name 1-(2′-Hydroxy-4′-methoxy-5′-hydroxymethylphenyl)-E-4-hexen1-one
ChEBI ID CHEBI:213254
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C14H18O4
Net Charge 0
Average Mass 250.294
Monoisotopic Mass 250.12051
InChI InChI=1S/C14H18O4/c1-3-4-5-6-12(16)11-7-10(9-15)14(18-2)8-13(11)17/h3-4,7-8,15,17H,5-6,9H2,1-2H3/b4-3+
InChIKey ZIDISXJXSVFYAG-ONEGZZNKSA-N
SMILES O=C(C1=C(O)C=C(OC)C(=C1)CO)CC/C=C/C
Metabolite of Species Details
Phaeoacremoniumspecies NRRL 32148 (NCBI:txid1054402) See: PubMed
ChEBI Ontology
Outgoing 1-(2′-Hydroxy-4′-methoxy-5′-hydroxymethylphenyl)-E-4-hexen1-one (CHEBI:213254) is a aromatic ketone (CHEBI:76224)
IUPAC Name
(E)-1-[2-hydroxy-5-(hydroxymethyl)-4-methoxyphenyl]hex-4-en-1-one
Manual Xref Database
9681871 ChemSpider
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