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Chemistry, part 2

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > alkaloid > isoquinoline alkaloid > benzophenanthridine alkaloid > simulansamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > benzophenanthridine > benzophenanthridine alkaloid > simulansamide
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > benzophenanthridine > benzophenanthridine alkaloid > simulansamide
... > 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 > benzophenanthridine > benzophenanthridine alkaloid > simulansamide
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > benzophenanthridine > benzophenanthridine alkaloid > simulansamide
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > benzophenanthridine > benzophenanthridine alkaloid > simulansamide
... > 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 > organic heteropolycyclic compound > benzophenanthridine > benzophenanthridine alkaloid > simulansamide
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > benzophenanthridine > benzophenanthridine alkaloid > simulansamide

Preferred term

simulansamide  

Type

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

Broader concept

charge

  • 0

formula

  • C22H23NO6

inchi

  • InChI=1S/C22H23NO6/c1-23(12-24)20-14(15-8-9-17(26-2)22(29-5)21(15)25)7-6-13-10-18(27-3)19(28-4)11-16(13)20/h6-12,25H,1-5H3

inchikey

  • QNIQCCMVUPVMMU-UHFFFAOYSA-N

mass

  • 397.427

monoisotopicmass

  • 397.15254

smiles

  • O(C=1C=C2C(N(C)C=O)=C(C3=C(O)C(OC)=C(OC)C=C3)C=CC2=CC1OC)C

subset

  • 2_STAR

synonym EXACT

  • N-[2-(2-hydroxy-3,4-dimethoxyphenyl)-6,7-dimethoxynaphthalen-1-yl]-N-methylormamide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:168469

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