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Concept information

organooxygen compound > polyketide > macrolide > 8-desmethoxy-isomigrastatin
... > organooxygen compound > ester > lactone > macrocyclic lactone > macrolide > 8-desmethoxy-isomigrastatin
... > organooxygen compound > oxacycle > lactone > macrocyclic lactone > macrolide > 8-desmethoxy-isomigrastatin

Preferred term

8-desmethoxy-isomigrastatin  

Type

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

Broader concept

charge

  • 0

formula

  • C26H37NO6

inchi

  • InChI=1S/C26H37NO6/c1-17(21(28)12-9-10-20-15-23(30)27-24(31)16-20)14-18(2)26-19(3)22(29)11-7-5-4-6-8-13-25(32)33-26/h5,7-8,13-14,17,19-20,22,26,29H,4,6,9-12,15-16H2,1-3H3,(H,27,30,31)/b7-5+,13-8+,18-14+/t17-,19-,22+,26-/m0/s1

inchikey

  • SBOCUPFPPJWMJW-JHKKMVOOSA-N

mass

  • 459.583

monoisotopicmass

  • 459.26209

smiles

  • O=C1O[C@@H](/C(=C/[C@@H](C(=O)CCCC2CC(=O)NC(C2)=O)C)/C)[C@H]([C@H](O)CC=CCCC=C1)C

subset

  • 2_STAR

synonym EXACT

  • 4-[(E,5S)-7-[(2R,3S,4R,6E,10E)-4-hydroxy-3-methyl-12-oxo-1-oxacyclododeca-6,10-dien-2-yl]-5-methyl-4-oxooct-6-enyl]piperidine-2,6-dione

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:207332

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