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Concept information

organooxygen compound > polyketide > macrolide > 16,17-didehydro-8-desmethoxy-isomigrastatin
... > organooxygen compound > ester > carboxylic ester > lactone > macrocyclic lactone > macrolide > 16,17-didehydro-8-desmethoxy-isomigrastatin
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > macrocyclic lactone > macrolide > 16,17-didehydro-8-desmethoxy-isomigrastatin
... > organooxygen compound > ester > lactone > macrocyclic lactone > macrolide > 16,17-didehydro-8-desmethoxy-isomigrastatin
... > organooxygen compound > oxacycle > lactone > macrocyclic lactone > macrolide > 16,17-didehydro-8-desmethoxy-isomigrastatin

Preferred term

16,17-didehydro-8-desmethoxy-isomigrastatin  

Type

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

Broader concept

charge

  • 0

formula

  • C26H35NO7

inchi

  • InChI=1S/C26H35NO7/c1-16(20(28)11-8-9-19-14-22(30)27-23(31)15-19)13-17(2)26-18(3)25(33)21(29)10-6-4-5-7-12-24(32)34-26/h6-8,10-13,16,18-19,21,25-26,29,33H,4-5,9,14-15H2,1-3H3,(H,27,30,31)/b10-6+,11-8+,12-7+,17-13+/t16-,18-,21-,25-,26-/m0/s1

inchikey

  • LJTHAHHHNCRWHP-MCQYAUJPSA-N

mass

  • 473.566

monoisotopicmass

  • 473.24135

smiles

  • O=C1O[C@@H](/C(=C/[C@@H](C(=O)/C=C/CC2CC(=O)NC(C2)=O)C)/C)[C@H]([C@H](O)[C@@H](O)C=CCCC=C1)C

subset

  • 2_STAR

synonym EXACT

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

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:215667

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