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Chemistry, part 2

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

... > organooxygen compound > carbonyl compound > carboxylic acid > monocarboxylic acid > alpha,beta-unsaturated monocarboxylic acid > cinnamic acids > hydroxycinnamic acid > caffeoylisocitric 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 > caffeoylisocitric 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 > caffeoylisocitric 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 > caffeoylisocitric 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 > caffeoylisocitric acid

Preferred term

caffeoylisocitric acid  

Type

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

Broader concept

charge

  • 0

formula

  • C15H14O10

inchi

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

inchikey

  • VKZRVCKHTOCHSD-DUXPYHPUSA-N

mass

  • 354.267

monoisotopicmass

  • 354.05870

smiles

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

subset

  • 2_STAR

synonym EXACT

  • (E)-6-(3,4-dihydroxyphenyl)-3-hydroxy-4-oxohex-5-ene-1,2,3-tricarboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:176358

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