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Chemistry, part 2

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Concept information

... > organooxygen compound > carbonyl compound > carboxylic acid > monocarboxylic acid > alpha,beta-unsaturated monocarboxylic acid > cinnamic acids > hydroxycinnamic acid > 2,6-dihydroxy-4,5-dimethyl-3-(3-oxo-1-butenyl) benzoic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > carboxylic acid > monocarboxylic acid > alpha,beta-unsaturated monocarboxylic acid > cinnamic acids > hydroxycinnamic acid > 2,6-dihydroxy-4,5-dimethyl-3-(3-oxo-1-butenyl) benzoic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic acid > monocarboxylic acid > alpha,beta-unsaturated monocarboxylic acid > cinnamic acids > hydroxycinnamic acid > 2,6-dihydroxy-4,5-dimethyl-3-(3-oxo-1-butenyl) benzoic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic acid > carboxylic acid > monocarboxylic acid > alpha,beta-unsaturated monocarboxylic acid > cinnamic acids > hydroxycinnamic acid > 2,6-dihydroxy-4,5-dimethyl-3-(3-oxo-1-butenyl) benzoic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > olefinic compound > cinnamic acids > hydroxycinnamic acid > 2,6-dihydroxy-4,5-dimethyl-3-(3-oxo-1-butenyl) benzoic acid

Preferred term

2,6-dihydroxy-4,5-dimethyl-3-(3-oxo-1-butenyl) benzoic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C13H14O5

inchi

  • InChI=1S/C13H14O5/c1-6(14)4-5-9-7(2)8(3)11(15)10(12(9)16)13(17)18/h4-5,15-16H,1-3H3,(H,17,18)/b5-4+

inchikey

  • KOKRQMCLMWELOX-SNAWJCMRSA-N

mass

  • 250.250

monoisotopicmass

  • 250.08412

smiles

  • O=C(O)C1=C(O)C(=C(C)C(=C1O)C)/C=C/C(=O)C

subset

  • 2_STAR

synonym EXACT

  • 2,6-dihydroxy-3,4-dimethyl-5-[(E)-3-oxobut-1-enyl]benzoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:213558

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