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Concept information

Preferred term

اسید تیروزینوکولیک  

Type

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

charge

  • 0

formula

  • C33H49NO7

inchi

  • InChI=1S/C33H49NO7/c1-18(4-11-29(39)34-26(31(40)41)14-19-5-7-21(35)8-6-19)23-9-10-24-30-25(17-28(38)33(23,24)3)32(2)13-12-22(36)15-20(32)16-27(30)37/h5-8,18,20,22-28,30,35-38H,4,9-17H2,1-3H3,(H,34,39)(H,40,41)/t18-,20+,22-,23-,24+,25+,26+,27-,28+,30+,32+,33-/m1/s1

inchikey

  • UTTBUMIEHWNKLK-GRMAFNFHSA-N

mass

  • 571.755

monoisotopicmass

  • 571.35090

smiles

  • C[C@H](CCC(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O)[C@H]2CC[C@H]3[C@@H]4[C@H](O)C[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4C[C@H](O)[C@]23C

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:232259

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