skip to main content

Chemistry, part 1

Content language

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

Concept information

... > chemical entity > molecular entity > ion > anion > polyatomic anion > oxoanion > carboxylic acid anion > monocarboxylic acid anion > hydroxy monocarboxylic acid anion > 4-coumaroylshikimate
... > chemical entity > molecular entity > ion > polyatomic ion > polyatomic anion > oxoanion > carboxylic acid anion > monocarboxylic acid anion > hydroxy monocarboxylic acid anion > 4-coumaroylshikimate
... > chemical entity > molecular entity > polyatomic entity > polyatomic ion > polyatomic anion > oxoanion > carboxylic acid anion > monocarboxylic acid anion > hydroxy monocarboxylic acid anion > 4-coumaroylshikimate
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxide > oxoanion > carboxylic acid anion > monocarboxylic acid anion > hydroxy monocarboxylic acid anion > 4-coumaroylshikimate
... > chemical entity > molecular entity > ion > anion > organic anion > carboxylic acid anion > monocarboxylic acid anion > hydroxy monocarboxylic acid anion > 4-coumaroylshikimate
... > chemical entity > molecular entity > ion > organic ion > organic anion > carboxylic acid anion > monocarboxylic acid anion > hydroxy monocarboxylic acid anion > 4-coumaroylshikimate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic ion > organic anion > carboxylic acid anion > monocarboxylic acid anion > hydroxy monocarboxylic acid anion > 4-coumaroylshikimate

Preferred term

4-coumaroylshikimate  

Type

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

Broader concept

charge

  • -1

formula

  • C16H15O7

inchi

  • InChI=1S/C16H16O7/c17-11-4-1-9(2-5-11)3-6-14(19)23-13-8-10(16(21)22)7-12(18)15(13)20/h1-7,12-13,15,17-18,20H,8H2,(H,21,22)/p-1/b6-3+/t12-,13-,15-/m1/s1

inchikey

  • GVECSFFLZYNEBO-PDXJTRCTSA-M

is_conjugate_base_of

mass

  • 319.28610

monoisotopicmass

  • 319.08233

smiles

  • O[C@@H]1C=C(C[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H]1O)C([O-])=O

subset

  • 3_STAR

synonym EXACT

  • (3R,4R,5R)-3,4-dihydroxy-5-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyloxy]cyclohex-1-ene-1-carboxylate

synonym RELATED

  • 4-coumaroylshikimate(1-)
  • 4-coumaroylshikimate anion
  • trans-4-coumaroylshikimate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:57768

Download this concept:

RDF/XML TURTLE JSON-LD