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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 > (+)-1,2-dehydrokohatine
... > 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 > (+)-1,2-dehydrokohatine

Preferred term

(+)-1,2-dehydrokohatine  

Type

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

Broader concept

charge

  • 0

formula

  • C34H30N2O6

inchi

  • InChI=1S/C34H30N2O6/c1-36-12-10-22-30-25(36)14-18-3-6-21(7-4-18)40-27-15-19(5-8-26(27)37)13-24-23-17-29-28(16-20(23)9-11-35-24)42-34(32(30)41-29)33(39-2)31(22)38/h3-8,15-17,25,37-38H,9-14H2,1-2H3/t25-/m0/s1

inchikey

  • MGQBZFRSIWBOLY-VWLOTQADSA-N

mass

  • 562.622

monoisotopicmass

  • 562.21039

smiles

  • C=12C3=CC4=C(C1)OC=5C(O4)=C(C(=C6C5[C@@H](N(CC6)C)CC=7C=CC(=CC7)OC=8C=C(CC2=NCC3)C=CC8O)O)OC

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:228272

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