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Chemistry, part 2

Content language

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Concept information

... > organooxygen compound > carbonyl compound > carboxylic acid > monocarboxylic acid > cyclitol carboxylic acid > quinic acid > 1,4-di-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 > 1,4-di-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 > 1,4-di-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 > 1,4-di-o-caffeoylquinic acid
... > organooxygen compound > carbonyl compound > carboxylic acid > monocarboxylic acid > hydroxy monocarboxylic acid > cyclitol carboxylic acid > quinic acid > 1,4-di-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 > 1,4-di-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 > 1,4-di-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 > 1,4-di-o-caffeoylquinic acid
... > organooxygen compound > carbonyl compound > carboxylic acid > hydroxy carboxylic acid > hydroxy monocarboxylic acid > cyclitol carboxylic acid > quinic acid > 1,4-di-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 > 1,4-di-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 > 1,4-di-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 > 1,4-di-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 > 1,4-di-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 > 1,4-di-o-caffeoylquinic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > carbocyclic compound > cyclitol carboxylic acid > quinic acid > 1,4-di-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 > 1,4-di-o-caffeoylquinic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > carbocyclic compound > cyclitol carboxylic acid > quinic acid > 1,4-di-o-caffeoylquinic acid

Preferred term

1,4-di-o-caffeoylquinic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C25H24O12

inchi

  • InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(32)36-23-19(30)11-25(24(34)35,12-20(23)31)37-22(33)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-31H,11-12H2,(H,34,35)/b7-3+,8-4+/t19-,20-,23?,25?/m1/s1

inchikey

  • IYXQRCXQQWUFQV-RDJMKVHDSA-N

mass

  • 516.455

monoisotopicmass

  • 516.12678

smiles

  • O(C1(C[C@@H](O)C(OC(=O)/C=C/C2=CC(O)=C(O)C=C2)[C@H](O)C1)C(O)=O)C(=O)/C=C/C3=CC(O)=C(O)C=C3

subset

  • 2_STAR

synonym EXACT

  • (3R,5R)-1,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-3,5-dihydroxycyclohexane-1-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:176204

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