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Chemistry, part 2

Content language

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Concept information

... > organooxygen compound > carbonyl compound > carboxylic acid > monocarboxylic acid > alpha,beta-unsaturated monocarboxylic acid > cinnamic acids > hydroxycinnamic acid > 1-caffeoyl-4-deoxyquinic 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 > 1-caffeoyl-4-deoxyquinic 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 > 1-caffeoyl-4-deoxyquinic 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 > 1-caffeoyl-4-deoxyquinic 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 > 1-caffeoyl-4-deoxyquinic acid

Preferred term

1-caffeoyl-4-deoxyquinic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C16H18O8

inchi

  • InChI=1S/C16H18O8/c17-10-6-11(18)8-16(7-10,15(22)23)24-14(21)4-2-9-1-3-12(19)13(20)5-9/h1-5,10-11,17-20H,6-8H2,(H,22,23)/b4-2+/t10-,11-/m0/s1

inchikey

  • IQRPXVABWMLCMZ-LOMYTOQZSA-N

mass

  • 338.310

monoisotopicmass

  • 338.10017

smiles

  • O[C@H]1C[C@H](O)C[C@](C1)(OC(=O)/C=C/c1ccc(O)c(O)c1)C(O)=O

subset

  • 2_STAR

synonym EXACT

  • 1-Caffeoyl-4-deoxyquinic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:613

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