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Chemistry, part 1

Content language

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Concept information

organooxygen compound > carbonyl compound > carboxylic acid > tricarboxylic acid > 2-caffeoylisocitric acid
organooxygen compound > carbon oxoacid > carboxylic acid > tricarboxylic acid > 2-caffeoylisocitric acid
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > tricarboxylic acid > 2-caffeoylisocitric acid
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > tricarboxylic acid > 2-caffeoylisocitric acid

Preferred term

2-caffeoylisocitric acid  

Type

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

Broader concept

alt_id

  • CHEBI:1031
  • CHEBI:11533
  • CHEBI:19489

charge

  • 0

formula

  • C15H14O10

has_functional_parent

inchi

  • InChI=1S/C15H14O10/c16-9-3-1-7(5-10(9)17)2-4-12(20)25-13(15(23)24)8(14(21)22)6-11(18)19/h1-5,8,13,16-17H,6H2,(H,18,19)(H,21,22)(H,23,24)/b4-2-

inchikey

  • KYSQDMNDMYECNZ-RQOWECAXSA-N

is_conjugate_acid_of

mass

  • 354.26570

monoisotopicmass

  • 354.05870

smiles

  • OC(=O)CC(C(OC(=O)/C=C/c1ccc(O)c(O)c1)C(O)=O)C(O)=O

subset

  • 3_STAR

synonym EXACT

  • 1-{[(2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}propane-1,2,3-tricarboxylic acid

synonym RELATED

  • 2-Caffeoylisocitrate
  • (E)-Caffeoylisocitrate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:16166

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