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Concept information

Preferred term

a10255j  

Type

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

charge

  • 0

formula

  • C43H38N14O11S3

inchi

  • InChI=1S/C43H38N14O11S3/c1-7-22-41-47-10-26(68-41)36(63)46-13-29-45-11-27(70-29)37(64)52-19(5)42-48-12-28(71-42)38(65)50-17(3)33(60)51-18(4)40-55-24(14-67-40)31-21(8-9-23(53-31)34(61)49-16(2)32(44)59)43-56-25(15-69-43)35(62)57-30(20(6)58)39(66)54-22/h7-12,14-15,19-20,30,58H,2-4,13H2,1,5-6H3,(H2,44,59)(H,46,63)(H,49,61)(H,50,65)(H,51,60)(H,52,64)(H,54,66)(H,57,62)

inchikey

  • XCZCYMWDHUIDCL-UHFFFAOYSA-N

mass

  • 1023.040

monoisotopicmass

  • 1022.20066

smiles

  • S1C=2C(=O)NC(C(=O)NC(C=3OC=C(N3)C4=NC(C(=O)NC(C(=O)N)=C)=CC=C4C=5SC=C(N5)C(=O)NC(C(NC(C=6OC(C(NCC=7SC(C(NC(C1=NC2)C)=O)=CN7)=O)=CN6)=CC)=O)C(O)C)=C)=C

subset

  • 2_STAR

synonym EXACT

  • 2-[[17-ethylidene-12,15,22,29,36,39-hexahydroxy-14-(1-hydroxyethyl)-31-methyl-38,41-dimethylidene-43,48-dioxa-9,46,47-trithia-3,13,16,19,23,26,30,33,37,40,45,49-dodecazaheptacyclo[40.2.1.18,11.118,21.125,28.132,35.02,7]nonatetraconta-1(44),2(7),3,5,8(49),10,12,15,18,20,22,25,27,29,32,34,36,39,42(45)-nonadecaene-4-carbonyl]amino]prop-2-enimidic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:206804

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