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Concept information

Preferred term

2-o-caffeoylglucarate (2-)  

Type

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

charge

  • -2

formula

  • C15H14O11

inchi

  • InChI=1S/C15H16O11/c16-7-3-1-6(5-8(7)17)2-4-9(18)26-13(15(24)25)11(20)10(19)12(21)14(22)23/h1-5,10-13,16-17,19-21H,(H,22,23)(H,24,25)/p-2/b4-2+/t10-,11-,12-,13+/m0/s1

inchikey

  • OMIXKOJEIRRAJW-CDEBNWADSA-L

mass

  • 370.26510

monoisotopicmass

  • 370.05471

smiles

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

subset

  • 3_STAR

synonym EXACT

  • 2-O-[3-(3,4-dihydroxyphenyl)prop-2-enoyl]-D-glucarate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:58157

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