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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 > caffeoylmalic 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 > caffeoylmalic 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 > caffeoylmalic 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 > caffeoylmalic 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 > caffeoylmalic acid

Preferred term

caffeoylmalic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C13H12O8

inchi

  • InChI=1S/C13H12O8/c14-8-3-1-7(5-9(8)15)2-4-12(18)21-10(13(19)20)6-11(16)17/h1-5,10,14-15H,6H2,(H,16,17)(H,19,20)/b4-2+

inchikey

  • PMKQSEYPLQIEAY-DUXPYHPUSA-N

mass

  • 296.231

monoisotopicmass

  • 296.05322

smiles

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

subset

  • 2_STAR

synonym EXACT

  • 2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxybutanedioic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:169040

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