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Chemistry, part 2

Content language

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Concept information

organooxygen compound > oxacycle > 12'-o-acetylisariotin a
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > 12'-o-acetylisariotin a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > 12'-o-acetylisariotin a
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > 12'-o-acetylisariotin a

Preferred term

12'-o-acetylisariotin a  

Type

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

Broader concept

charge

  • 0

formula

  • C23H35NO8

inchi

  • InChI=1S/C23H35NO8/c1-14(25)31-12-10-8-6-4-2-3-5-7-9-11-16(26)24-15-13-23(30)21(29)17(18(15)27)19(28)20-22(23)32-20/h9,11,15,17-20,22,27-28,30H,2-8,10,12-13H2,1H3,(H,24,26)/b11-9+/t15-,17-,18-,19-,20-,22-,23+/m0/s1

inchikey

  • DAERPJXYZYHGTA-UFQSUENISA-N

mass

  • 453.532

monoisotopicmass

  • 453.23627

smiles

  • O=C1[C@@]2(O)[C@H]3O[C@H]3[C@H]([C@@H]1[C@@H](O)[C@H](C2)NC(=O)/C=C/CCCCCCCCCOC(=O)C)O

subset

  • 2_STAR

synonym EXACT

  • [(E)-12-oxo-12-[[(1S,2S,4S,5S,6S,7R,8S)-1,5,7-trihydroxy-10-oxo-3-oxatricyclo[4.3.1.02,4]decan-8-yl]amino]dodec-10-enyl] acetate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:204299

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