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Content language

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

Concept information

Preferred term

4 O کافئویل شیکیمیک اسید  

Type

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

charge

  • 0

formula

  • C16H16O8

inchi

  • InChI=1S/C16H16O8/c17-10-3-1-8(5-11(10)18)2-4-14(21)24-15-12(19)6-9(16(22)23)7-13(15)20/h1-6,12-13,15,17-20H,7H2,(H,22,23)/b4-2+/t12-,13-,15-/m1/s1

inchikey

  • VTURJKQJEXSKNY-GDDAOPKQSA-N

mass

  • 336.296

monoisotopicmass

  • 336.08452

smiles

  • O([C@H]1[C@H](O)CC(=C[C@H]1O)C(O)=O)C(=O)/C=C/C2=CC(O)=C(O)C=C2

subset

  • 2_STAR

synonym EXACT

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

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:175270

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