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Concept information

Preferred term

bionectin a  

Type

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

Broader concept

charge

  • 0

formula

  • C22H18N4O3S2

inchi

  • InChI=1S/C22H18N4O3S2/c1-25-17-16(27)26-19-21(12-7-3-5-9-15(12)24-19,18(28)22(26,20(25)29)31-30-17)13-10-23-14-8-4-2-6-11(13)14/h2-10,17-19,23-24,28H,1H3/t17-,18-,19+,21+,22-/m0/s1

inchikey

  • SOXYUWXVVDZFTE-XUJOWKJQSA-N

mass

  • 450.530

monoisotopicmass

  • 450.08203

smiles

  • S1S[C@@H]2N(C)C([C@@]13N([C@H]4NC=5C=CC=CC5[C@]4([C@@H]3O)C=6C7=C(C=CC=C7)NC6)C2=O)=O

subset

  • 2_STAR

synonym EXACT

  • (1S,2S,3R,11R,14S)-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:224482

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