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Concept information

ترکیب اکسیژن ارگانیک > (2R,4bS,6aS,12bS,12cR,14aS) هیدروکسی پاکسیلین 2'

Preferred term

(2R,4bS,6aS,12bS,12cR,14aS) هیدروکسی پاکسیلین 2'  

Type

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

charge

  • 0

formula

  • C27H33NO5

inchi

  • InChI=1S/C27H33NO5/c1-24(31,14-29)23-20(30)13-18-21(33-23)9-10-25(2)26(3)15(8-11-27(18,25)32)12-17-16-6-4-5-7-19(16)28-22(17)26/h4-7,13,15,21,23,28-29,31-32H,8-12,14H2,1-3H3/t15-,21-,23-,24?,25+,26+,27+/m0/s1

inchikey

  • YCXQGKDLXRHABX-SUWUUCHZSA-N

mass

  • 451.563

monoisotopicmass

  • 451.23587

smiles

  • O=C1C=C2[C@@]3(O)[C@@]([C@]4(C=5NC=6C=CC=CC6C5C[C@@H]4CC3)C)(CC[C@@H]2O[C@@H]1C(O)(CO)C)C

subset

  • 2_STAR

synonym EXACT

  • (1S,2R,5S,7R,11S,14S)-7-(1,2-dihydroxypropan-2-yl)-11-hydroxy-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-pentaen-8-one

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:204170

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