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Chemistry, part 2

Content language

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Concept information

organooxygen compound > oxacycle > isariotin c
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > isariotin c
... > 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 > isariotin c
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > isariotin c

Preferred term

isariotin c  

Type

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

Broader concept

charge

  • 0

formula

  • C21H31NO7

inchi

  • InChI=1S/C21H31NO7/c1-2-3-5-8-12(23)9-6-4-7-10-14(24)22-13-11-21(28)19(27)15(16(13)25)17(26)18-20(21)29-18/h7,10,13,15-18,20,25-26,28H,2-6,8-9,11H2,1H3,(H,22,24)/b10-7+/t13-,15-,16-,17-,18-,20-,21+/m0/s1

inchikey

  • BDPGWFYYYPWIAE-YPPQQAOGSA-N

mass

  • 409.479

monoisotopicmass

  • 409.21005

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/CCCC(=O)CCCCC)O

subset

  • 2_STAR

synonym EXACT

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

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:202203

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