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Chemistry, part 1

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Concept information

organic aromatic compound > aromatic ether > methyl vanillate
organooxygen compound > ester > carboxylic ester > benzoate ester > methyl vanillate
organooxygen compound > carbonyl compound > carboxylic ester > benzoate ester > methyl vanillate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > phenols > methyl vanillate
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > phenols > methyl vanillate
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > organic hydroxy compound > phenols > methyl vanillate
organic aromatic compound > phenols > methyl vanillate

Preferred term

methyl vanillate  

Type

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

Broader concept

charge

  • 0

formula

  • C9H10O4

has_functional_parent

has_role

inchi

  • InChI=1S/C9H10O4/c1-12-8-5-6(9(11)13-2)3-4-7(8)10/h3-5,10H,1-2H3

inchikey

  • BVWTXUYLKBHMOX-UHFFFAOYSA-N

mass

  • 182.17330

monoisotopicmass

  • 182.05791

smiles

  • COC(=O)c1ccc(O)c(OC)c1

subset

  • 3_STAR

synonym EXACT

  • methyl 4-hydroxy-3-methoxybenzoate

synonym RELATED

  • 4-Hydroxy-3-methoxybenzoic acid methyl ester
  • Methyl 3-methoxy-4-hydroxybenzoate
  • Methyl Vanillic Acid
  • VANILLATE
  • Vanillic acid, methyl ester

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:46477

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