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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 > calebassone
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > heteroorganic entity > organonitrogen compound > alkaloid > calebassone

Preferred term

calebassone  

Type

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

Broader concept

charge

  • +2

formula

  • C40H48N4O2

inchi

  • InChI=1S/C40H48N4O2/c1-5-23-21-43(3)17-15-37-27-11-7-10-14-30(27)42-36-34-26-20-32-38(16-18-44(32,4)22-24(26)6-2)28-12-8-9-13-29(28)41(40(34,38)46)35(36)33(39(37,42)45)25(23)19-31(37)43/h5-14,25-26,31-36,45-46H,15-22H2,1-4H3/q+2/b23-5-,24-6-/t25-,26-,31-,32-,33+,34+,35+,36+,37+,38+,39+,40+,43-,44-/m0/s1

inchikey

  • HVWCEUHZKLPKRE-VBHUBWESSA-N

mass

  • 616.836

monoisotopicmass

  • 616.37663

smiles

  • C/C=C1/C[N@+]2(C)CC[C@]34[C@@H]2C[C@@H]1[C@@H]1[C@@H]2[C@@H]([C@H]5[C@H]6C[C@H]7[C@@]8(CC[N@@+]7(C)C/C6=C/C)c6ccccc6N2[C@@]58O)N(c2ccccc32)[C@]41O

subset

  • 2_STAR

synonym EXACT

  • Calebassone

synonym RELATED

  • C-Calebassine

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:3318

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