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Concept information

Preferred term

پاکسیلینول  

Type

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

charge

  • 0

formula

  • C27H35NO4

inchi

  • InChI=1S/C27H35NO4/c1-24(2,30)23-20(29)14-18-21(32-23)10-11-25(3)26(4)15(9-12-27(18,25)31)13-17-16-7-5-6-8-19(16)28-22(17)26/h5-8,14-15,20-21,23,28-31H,9-13H2,1-4H3/t15-,20+,21-,23-,25+,26+,27+/m0/s1

inchikey

  • KIGDQFBCIVWTLT-ICMCZUSISA-N

mass

  • 437.580

monoisotopicmass

  • 437.25661

smiles

  • O[C@]12[C@@]([C@@]3([C@@](CC1)(CC4=C3NC=5C4=CC=CC5)[H])C)(CC[C@@]6(O[C@@]([C@H](O)C=C26)(C(O)(C)C)[H])[H])C

subset

  • 2_STAR

synonym EXACT

  • (1S,2R,5S,7S,8R,11S,14S)-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.02,11.05,10.016,24.017,22]tetracosa-9,16(24),17,19,21-pentaene-8,11-diol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:181940

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