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Chemistry, part 2

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Concept information

... > organooxygen compound > carbonyl compound > carboxylic acid > monocarboxylic acid > cyclitol carboxylic acid > quinic acid > 1-o-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 > quinic acid > 1-o-caffeoylquinic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic acid > monocarboxylic acid > cyclitol carboxylic acid > quinic acid > 1-o-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 > quinic acid > 1-o-caffeoylquinic acid
... > organooxygen compound > carbonyl compound > carboxylic acid > monocarboxylic acid > hydroxy monocarboxylic acid > cyclitol carboxylic acid > quinic acid > 1-o-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 > quinic acid > 1-o-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 > quinic acid > 1-o-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 > quinic acid > 1-o-caffeoylquinic acid
... > organooxygen compound > carbonyl compound > carboxylic acid > hydroxy carboxylic acid > hydroxy monocarboxylic acid > cyclitol carboxylic acid > quinic acid > 1-o-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 > quinic acid > 1-o-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 > quinic acid > 1-o-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 > quinic acid > 1-o-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 > quinic acid > 1-o-caffeoylquinic acid
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > hydroxy carboxylic acid > hydroxy monocarboxylic acid > cyclitol carboxylic acid > quinic acid > 1-o-caffeoylquinic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > carbocyclic compound > cyclitol carboxylic acid > quinic acid > 1-o-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 > quinic acid > 1-o-caffeoylquinic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > carbocyclic compound > cyclitol carboxylic acid > quinic acid > 1-o-caffeoylquinic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > phenols > benzenediols > catechols > alkyl caffeate ester > 1-o-caffeoylquinic acid
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > phenols > benzenediols > catechols > alkyl caffeate ester > 1-o-caffeoylquinic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > phenols > benzenediols > catechols > alkyl caffeate ester > 1-o-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 > phenols > benzenediols > catechols > alkyl caffeate ester > 1-o-caffeoylquinic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > phenols > benzenediols > catechols > alkyl caffeate ester > 1-o-caffeoylquinic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > phenylpropanoid > alkyl caffeate ester > 1-o-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 > alkyl caffeate ester > 1-o-caffeoylquinic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > phenylpropanoid > alkyl caffeate ester > 1-o-caffeoylquinic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > phenylpropanoid > cinnamate ester > alkyl caffeate ester > 1-o-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 > alkyl caffeate ester > 1-o-caffeoylquinic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > phenylpropanoid > cinnamate ester > alkyl caffeate ester > 1-o-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 > alkyl caffeate ester > 1-o-caffeoylquinic acid

Preferred term

1-o-caffeoylquinic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C16H18O9

has_functional_parent

has_parent_hydride

has_role

inchi

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

inchikey

  • GWTUHAXUUFROTF-JUHZACGLSA-N

mass

  • 354.309

monoisotopicmass

  • 354.09508

smiles

  • C(=O)(/C=C/C1=CC=C(O)C(O)=C1)O[C@@]2(C[C@@H](O)[C@@H]([C@@H](C2)O)O)C(O)=O

subset

  • 3_STAR

synonym EXACT

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

synonym RELATED

  • 1-Caffeoylquinic acid
  • 1-O-(trans-caffeoyl)quinic acid
  • trans-1-o-Caffeoylquinic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:136555

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