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Chemistry, part 2

Content language

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Concept information

... > organooxygen compound > carbonyl compound > carboxylic acid > monocarboxylic acid > alpha,beta-unsaturated monocarboxylic acid > cinnamic acids > hydroxycinnamic acid > 3-o-caffeoyl-2-(2-propyl)-2-hydroxybutanedioic 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 > 3-o-caffeoyl-2-(2-propyl)-2-hydroxybutanedioic 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 > 3-o-caffeoyl-2-(2-propyl)-2-hydroxybutanedioic 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 > 3-o-caffeoyl-2-(2-propyl)-2-hydroxybutanedioic 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 > 3-o-caffeoyl-2-(2-propyl)-2-hydroxybutanedioic acid

Preferred term

3-o-caffeoyl-2-(2-propyl)-2-hydroxybutanedioic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C16H18O9

inchi

  • InChI=1S/C16H18O9/c1-8(2)16(24,15(22)23)13(14(20)21)25-12(19)6-4-9-3-5-10(17)11(18)7-9/h3-8,13,17-18,24H,1-2H3,(H,20,21)(H,22,23)/b6-4+

inchikey

  • NMEUMTFTGDHBGD-GQCTYLIASA-N

mass

  • 354.311

monoisotopicmass

  • 354.09508

smiles

  • C1=CC(=C(C=C1/C=C/C(OC(C(C(C)C)(C(=O)O)O)C(O)=O)=O)O)O

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:145097

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