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Chemistry, part 3

Content language

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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 > morphinane alkaloid > o-methylsomniferine
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > heteroorganic entity > organonitrogen compound > alkaloid > isoquinoline alkaloid > morphinane alkaloid > o-methylsomniferine

Preferred term

o-methylsomniferine  

Type

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

Broader concept

charge

  • 0

formula

  • C37H38N2O7

inchi

  • InChI=1S/C37H38N2O7/c1-38-13-12-36-29-19-7-10-25(43-4)32(29)46-34(36)30(40)20(16-37(36,41)27(38)15-19)23-17-35-21-8-11-26(44-5)33(35)45-31-24(42-3)9-6-18(28(31)35)14-22(21)39(23)2/h6-11,16,22-23,27,33-34,41H,12-15,17H2,1-5H3/t22-,23+,27-,33+,34+,35+,36+,37-/m1/s1

inchikey

  • ZBLRQFTWSKSLFD-LKNBYEBDSA-N

mass

  • 622.718

monoisotopicmass

  • 622.26790

smiles

  • O1[C@@]2([C@]34[C@](O)([C@](N(CC3)C)(CC5=C4C1=C(OC)C=C5)[H])C=C([C@H]6N([C@]7(C=8[C@]9(C6)[C@@](OC=%10C9=C(C7)C=CC%10OC)(C(OC)=CC8)[H])[H])C)C2=O)[H]

subset

  • 2_STAR

synonym EXACT

  • (4R,4aS,7aR,12bS)-6-[(2S,4R,7aR,12bS)-7,9-dimethoxy-3-methyl-2,4,7a,13-tetrahydro-1H-4,12-methanobenzouro[3,2-e]isoquinolin-2-yl]-4a-hydroxy-9-methoxy-3-methyl-2,4,7a,13-tetrahydro-1H-4,12-methanobenzouro[3,2-e]isoquinolin-7-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:169759

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