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Concept information

Preferred term

aspochalasin w  

Type

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

Broader concept

charge

  • 0

formula

  • C25H37NO4S

inchi

  • InChI=1S/C25H37NO4S/c1-13(2)10-19-21-15(4)16(5)22(28)18-11-14(3)8-7-9-17(27)12-20(31-6)23(29)25(18,21)24(30)26-19/h11,13,18-22,28H,7-10,12H2,1-6H3,(H,26,30)/b14-11+/t18-,19-,20+,21-,22+,25-/m0/s1

inchikey

  • DZPUAJGOIULLKE-JMMJSHQGSA-N

mass

  • 447.630

monoisotopicmass

  • 447.24433

smiles

  • S([C@H]1C(=O)[C@@]23C(=O)N[C@H]([C@@H]2C(C)=C([C@H]([C@@H]3C=C(C)CCCC(C1)=O)O)C)CC(C)C)C

subset

  • 2_STAR

synonym EXACT

  • (1R,3R,9E,11R,12S,15R,16S)-12-hydroxy-9,13,14-trimethyl-16-(2-methylpropyl)-3-methylsulanyl-17-azatricyclo[9.7.0.01,15]octadeca-9,13-diene-2,5,18-trione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:207772

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