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Concept information

Preferred term

bionectin e  

Type

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

Broader concept

charge

  • 0

formula

  • C24H22N4O3S2

inchi

  • InChI=1S/C24H22N4O3S2/c1-3-22-20(30)28-19-23(14-9-5-7-11-17(14)26-19,15-12-25-16-10-6-4-8-13(15)16)18(29)24(28,33-32-22)21(31)27(22)2/h4-12,18-19,25-26,29H,3H2,1-2H3/t18-,19+,22-,23+,24-/m0/s1

inchikey

  • HURRRPHPMBYTBV-CGXVDHOPSA-N

mass

  • 478.590

monoisotopicmass

  • 478.11333

smiles

  • S1S[C@@]23N([C@H]4NC=5C=CC=CC5[C@]4([C@@H]2O)C=6C7=C(C=CC=C7)NC6)C([C@]1(N(C)C3=O)CC)=O

subset

  • 2_STAR

synonym EXACT

  • (1S,2S,3R,11R,14S)-14-ethyl-2-hydroxy-3-(1H-indol-3-yl)-18-methyl-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.01,12.03,11.04,9]octadeca-4,6,8-triene-13,17-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:222535

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