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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > carbocyclic compound > benzenoid aromatic compound > naphthalenes > 2-(hydroxymethyl)-5-methoxy-7-(3-methyl-2-oxobut-3-enyl)-1-naphthaldehyde
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > carbocyclic compound > benzenoid aromatic compound > naphthalenes > 2-(hydroxymethyl)-5-methoxy-7-(3-methyl-2-oxobut-3-enyl)-1-naphthaldehyde

Preferred term

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

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C18H18O4

inchi

  • InChI=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

inchikey

  • PEWXHGUEJYWSQP-UHFFFAOYSA-N

mass

  • 298.338

monoisotopicmass

  • 298.12051

smiles

  • O=C(C(=C)C)CC=1C=C(OC)C2=CC=C(C(=C2C1)C=O)CO

subset

  • 2_STAR

synonym EXACT

  • 2-(hydroxymethyl)-5-methoxy-7-(3-methyl-2-oxobut-3-enyl)naphthalene-1-carbaldehyde

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:210331

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