skip to main content

Chemistry, part 2

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > quinolines > cycloexpansamine b
... > 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 aromatic compound > quinolines > cycloexpansamine b
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > quinolines > cycloexpansamine b
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > quinolines > cycloexpansamine b
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > quinolines > cycloexpansamine b
... > 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 > organonitrogen heterocyclic compound > quinolines > cycloexpansamine b
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > quinolines > cycloexpansamine b

Preferred term

cycloexpansamine b  

Type

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

Broader concept

charge

  • 0

formula

  • C25H31N3O5

inchi

  • InChI=1S/C25H31N3O5/c1-22(2)11-17(30)19-16(29)8-7-15-20(19)27(22)21(31)25(15)12-24(28(32)33)13-26-9-5-6-14(26)10-18(24)23(25,3)4/h7-8,14,18,29H,5-6,9-13H2,1-4H3/t14-,18+,24+,25-/m0/s1

inchikey

  • BODXCOIFDQVMAL-DTKOROOESA-N

mass

  • 453.539

monoisotopicmass

  • 453.22637

smiles

  • O=[N+]([O-])[C@]12[C@@H](C(C)(C)[C@]3(C1)C(=O)N4C(CC(C=5C4=C3C=CC5O)=O)(C)C)C[C@@H]6CCCN6C2

subset

  • 2_STAR

synonym EXACT

  • (5aS,7S,8aR,9aS)-7'-hydroxy-8,8,11',11'-tetramethyl-5a-nitrospiro[1,2,3,5,6,8a,9,9a-octahydrocyclopenta[]indolizine-7,3'-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene]-2',9'-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:227417

Download this concept:

RDF/XML TURTLE JSON-LD