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Chemistry, part 1

Content language

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Concept information

organic heterocyclic compound > organic heteropolycyclic compound > organic heterotricyclic compound > jaconine n-oxide
organochlorine compound > jaconine n-oxide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > polyol > diol > jaconine n-oxide
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > polyol > diol > jaconine n-oxide
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > organic hydroxy compound > polyol > diol > jaconine n-oxide
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxide > n-oxide > tertiary amine oxide > jaconine n-oxide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > alkaloid > pyrrolizine alkaloid > jaconine n-oxide

Preferred term

jaconine n-oxide  

Type

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

Broader concept

charge

  • 0

formula

  • C18H26ClNO7

has_functional_parent

has_role

inchi

  • InChI=1S/C18H26ClNO7/c1-10-8-18(24,11(2)19)16(22)27-13-5-7-20(25)6-4-12(14(13)20)9-26-15(21)17(10,3)23/h4,10-11,13-14,23-24H,5-9H2,1-3H3/t10-,11-,13-,14-,17-,18+,20?/m1/s1

inchikey

  • QVYOXJXCZNKVGZ-SDBPLCPMSA-N

mass

  • 403.855

monoisotopicmass

  • 403.13978

smiles

  • [C@@]1([C@@H](C)Cl)(O)C(O[C@H]2[C@@]3([N+](CC=C3COC([C@]([C@@H](C1)C)(C)O)=O)(CC2)[O-])[H])=O

subset

  • 3_STAR

synonym EXACT

  • (3R,5R,6R,14aR,14bR)-3-[(1R)-1-chloroethyl]-3,6-dihydroxy-5,6-dimethyl-12-oxo-3,4,5,6,11,12,13,14,14a,14b-decahydro-9H-12lambda(5)-[1,6]dioxacyclododecino[2,3,4-gh]pyrrolizine-2,7-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:136457

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