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Concept information

Preferred term

(1R,2S,5S,6S) 2 (3 carboxypropanoyl) 5 [(1 carboxyvinyl)oxy] 6 hydroxycyclohex 3 en 1 carboxylic acid  

Type

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

charge

  • 0

formula

  • C14H16O9

inchi

  • InChI=1S/C14H16O9/c1-6(13(19)20)23-9-4-2-7(8(15)3-5-10(16)17)11(12(9)18)14(21)22/h2,4,7,9,11-12,18H,1,3,5H2,(H,16,17)(H,19,20)(H,21,22)/t7-,9+,11-,12-/m1/s1

inchikey

  • XYCATPIYKOARSZ-OAIFWDMCSA-N

mass

  • 328.27144

monoisotopicmass

  • 328.07943

smiles

  • O[C@@H]1[C@@H](OC(=C)C(O)=O)C=C[C@@H]([C@H]1C(O)=O)C(=O)CCC(O)=O

subset

  • 3_STAR

synonym EXACT

  • (1R,2S,5S,6S)-5-[(1-carboxyethenyl)oxy]-2-(3-carboxypropanoyl)-6-hydroxycyclohex-3-ene-1-carboxylic acid

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:50271

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