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Concept information

Preferred term

تیموپنتین  

Type

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

Broader concept

charge

  • 0

formula

  • C30H49N9O9

inchi

  • InChI=1S/C30H49N9O9/c1-16(2)24(28(46)38-22(29(47)48)14-17-8-10-18(40)11-9-17)39-27(45)21(15-23(41)42)37-26(44)20(7-3-4-12-31)36-25(43)19(32)6-5-13-35-30(33)34/h8-11,16,19-22,24,40H,3-7,12-15,31-32H2,1-2H3,(H,36,43)(H,37,44)(H,38,46)(H,39,45)(H,41,42)(H,47,48)(H4,33,34,35)/t19-,20-,21-,22-,24-/m0/s1

inchikey

  • PSWFFKRAVBDQEG-YGQNSOCVSA-N

mass

  • 679.766

monoisotopicmass

  • 679.36532

smiles

  • [H]N[C@@H](CCCNC(N)=N)C(N[C@@H](CCCCN)C(N[C@@H](CC(O)=O)C(N[C@@H](C(C)C)C(N[C@@H](CC1=CC=C(O)C=C1)C(O)=O)=O)=O)=O)=O

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:135870

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