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CHEBI:210331 - 2-(hydroxymethyl)-5-methoxy-7-(3-methyl-2-oxobut-3-enyl)-1-naphthaldehyde

ChEBI IDCHEBI:210331
ChEBI Name2-(hydroxymethyl)-5-methoxy-7-(3-methyl-2-oxobut-3-enyl)-1-naphthaldehyde
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H18O4
Net Charge0
Average Mass298.338
Monoisotopic Mass298.12051
SMILESC=C(C)C(=O)Cc1cc(OC)c2ccc(CO)c(C=O)c2c1
InChIInChI=1S/C18H18O4/c1-11(2)17(21)7-12-6-15-14(18(8-12)22-3)5-4-13(9-19)16(15)10-20/h4-6,8,10,19H,1,7,9H2,2-3H3
InChIKeyPEWXHGUEJYWSQP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Phomopsisspecies (ncbitaxon:1715245) - DOI (10.1007/s10600-019-02762-z)
ChEBI Ontology
Outgoing Relation(s)
2-(hydroxymethyl)-5-methoxy-7-(3-methyl-2-oxobut-3-enyl)-1-naphthaldehyde (CHEBI:210331) is a naphthalenes (CHEBI:25477)
IUPAC Name 
2-(hydroxymethyl)-5-methoxy-7-(3-methyl-2-oxobut-3-enyl)naphthalene-1-carbaldehyde