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Concept information

Preferred term

nstx-3  

Type

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

Broader concept

charge

  • 0

formula

  • C30H51N9O8

has_role

inchi

  • InChI=1S/C30H51N9O8/c31-22(7-6-15-38-30(32)33)28(46)36-14-5-4-11-34-16-10-25(42)35-12-2-1-3-13-37-29(47)23(19-27(44)45)39-26(43)17-20-8-9-21(40)18-24(20)41/h8-9,18,22-23,34,40-41H,1-7,10-17,19,31H2,(H,35,42)(H,36,46)(H,37,47)(H,39,43)(H,44,45)(H4,32,33,38)

inchikey

  • CKADECQNGPJJPO-UHFFFAOYSA-N

mass

  • 665.793

monoisotopicmass

  • 665.38606

smiles

  • C=1C(=C(C=C(C1)O)O)CC(NC(C(NCCCCCNC(CCNCCCCNC(C(CCCN=C(N)N)N)=O)=O)=O)CC(O)=O)=O

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:232846

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