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Concept information

Preferred term

پیروسیدین A  

Type

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

charge

  • 0

formula

  • C31H37NO4

inchi

  • InChI=1S/C31H37NO4/c1-6-20-12-18(4)25-24-23(20)27(33)22-15-31(35,32-29(22)34)14-19-7-9-21(10-8-19)36-28(24)26-17(3)11-16(2)13-30(25,26)5/h6-10,12,15-17,20,23-26,28,35H,1,11,13-14H2,2-5H3,(H,32,34)/t16-,17+,20-,23+,24-,25+,26+,28+,30+,31-/m1/s1

inchikey

  • KXMGXXHZDLJDBH-UHLMFRFDSA-N

mass

  • 487.640

monoisotopicmass

  • 487.27226

smiles

  • O=C1C=2C(=O)N[C@@](C2)(O)CC3=CC=C(O[C@H]4[C@@H]5[C@@H]1[C@@H](C=C(C)[C@@H]5[C@@]6(C[C@H](C)C[C@@H]([C@@H]46)C)C)C=C)C=C3

subset

  • 2_STAR

synonym EXACT

  • (3S,4R,5S,7R,9S,10R,13R,14S,19R,27S)-13-ethenyl-19-hydroxy-5,7,9,11-tetramethyl-2-oxa-18-azahexacyclo[19.2.2.13,10.116,19.04,9.014,27]heptacosa-1(24),11,16(26),21(25),22-pentaene-15,17-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:220087

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