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Chemistry, part 2

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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > phenylpropanoid > cinnamate ester > 4-o-trans-caffeoylquinic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic aromatic compound > phenylpropanoid > cinnamate ester > 4-o-trans-caffeoylquinic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > phenylpropanoid > cinnamate ester > 4-o-trans-caffeoylquinic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > olefinic compound > enoate ester > cinnamate ester > 4-o-trans-caffeoylquinic acid
... > organooxygen compound > carbonyl compound > carboxylic acid > monocarboxylic acid > cyclitol carboxylic acid > 4-o-trans-caffeoylquinic 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 > cyclitol carboxylic acid > 4-o-trans-caffeoylquinic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic acid > monocarboxylic acid > cyclitol carboxylic acid > 4-o-trans-caffeoylquinic 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 > cyclitol carboxylic acid > 4-o-trans-caffeoylquinic acid
... > organooxygen compound > carbonyl compound > carboxylic acid > monocarboxylic acid > hydroxy monocarboxylic acid > cyclitol carboxylic acid > 4-o-trans-caffeoylquinic 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 > hydroxy monocarboxylic acid > cyclitol carboxylic acid > 4-o-trans-caffeoylquinic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic acid > monocarboxylic acid > hydroxy monocarboxylic acid > cyclitol carboxylic acid > 4-o-trans-caffeoylquinic 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 > hydroxy monocarboxylic acid > cyclitol carboxylic acid > 4-o-trans-caffeoylquinic acid
... > organooxygen compound > carbonyl compound > carboxylic acid > hydroxy carboxylic acid > hydroxy monocarboxylic acid > cyclitol carboxylic acid > 4-o-trans-caffeoylquinic 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 > hydroxy carboxylic acid > hydroxy monocarboxylic acid > cyclitol carboxylic acid > 4-o-trans-caffeoylquinic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic acid > hydroxy carboxylic acid > hydroxy monocarboxylic acid > cyclitol carboxylic acid > 4-o-trans-caffeoylquinic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic acid > carboxylic acid > hydroxy carboxylic acid > hydroxy monocarboxylic acid > cyclitol carboxylic acid > 4-o-trans-caffeoylquinic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > hydroxy carboxylic acid > hydroxy monocarboxylic acid > cyclitol carboxylic acid > 4-o-trans-caffeoylquinic acid
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > hydroxy carboxylic acid > hydroxy monocarboxylic acid > cyclitol carboxylic acid > 4-o-trans-caffeoylquinic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > carbocyclic compound > cyclitol carboxylic acid > 4-o-trans-caffeoylquinic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > carbocyclic compound > cyclitol carboxylic acid > 4-o-trans-caffeoylquinic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > carbocyclic compound > cyclitol carboxylic acid > 4-o-trans-caffeoylquinic acid

Preferred term

4-o-trans-caffeoylquinic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C16H18O9

has_functional_parent

has_role

inchi

  • InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1

inchikey

  • GYFFKZTYYAFCTR-JUHZACGLSA-N

mass

  • 354.30870

monoisotopicmass

  • 354.09508

smiles

  • O[C@@H]1C[C@@](O)(C[C@@H](O)[C@H]1OC(=O)/C=C/c1ccc(O)c(O)c1)C(O)=O

subset

  • 3_STAR

synonym EXACT

  • (1S,3R,4S,5R)-4-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,3,5-trihydroxycyclohexanecarboxylic acid

synonym RELATED

  • 4-(3,4-Dihydroxycinnamoyl)quinic acid
  • 4-Caffeoylquinic acid
  • 4-O-caffeoylquinic acid
  • 4-O-(E)-caffeoylquinic acid
  • Cryptochlorogenic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:75491

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