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Concept information

Preferred term

تیومارینول A  

Type

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

charge

  • 0

formula

  • C30H44N2O9S2

inchi

  • InChI=1S/C30H44N2O9S2/c1-17(19(3)33)10-9-11-20-15-41-28(27(38)26(20)37)25(36)18(2)14-23(35)40-13-8-6-4-5-7-12-22(34)32-24-29-21(16-42-43-29)31-30(24)39/h9-10,14,16-17,19-20,25-28,33,36-38H,4-8,11-13,15H2,1-3H3,(H,31,39)(H,32,34)/b10-9+,18-14+/t17-,19+,20+,25-,26-,27-,28+/m1/s1

inchikey

  • JIEMCPGFAXNCQW-XVYZEKPJSA-N

mass

  • 640.80800

monoisotopicmass

  • 640.24882

smiles

  • C[C@H](O)[C@H](C)/C=C/C[C@H]1CO[C@@H]([C@H](O)C(/C)=C/C(=O)OCCCCCCCC(=O)Nc2c3sscc3[nH]c2=O)[C@H](O)[C@@H]1O

subset

  • 3_STAR

synonym EXACT

  • (5S)-1,5-anhydro-2-deoxy-2-[(2E,4R,5S)-5-hydroxy-4-methylhex-2-en-1-yl]-5-[(1R,2E)-1-hydroxy-2-methyl-4-oxo-4-({8-oxo-8-[(5-oxo-4,5-dihydro[1,2]dithiolo[4,3-b]pyrrol-6-yl)amino]octyl}oxy)but-2-en-1-yl]-L-arabinitol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:66220

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