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Chemistry, part 1

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > amine > amphetamines > pseudallicin d
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > amine > amphetamines > pseudallicin d

Preferred term

pseudallicin d  

Type

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

Broader concept

charge

  • 0

formula

  • C40H59NO5

inchi

  • InChI=1S/C40H59NO5/c1-9-28(4)23-29(5)14-10-11-15-38(44)35(24-32-17-19-33(42)20-18-32)41(8)36-26-40(46-39(36)45)22-21-30(6)34(25-40)31(7)37(43)16-12-13-27(2)3/h10,13-14,17-20,26,28-29,31,34-35,38,42,44H,6,9,11-12,15-16,21-25H2,1-5,7-8H3/t28-,29+,31+,34+,35+,38-,40+/m1/s1

inchikey

  • VIDGNJPCBMOYMK-FPYCVEBQSA-N

mass

  • 633.914

monoisotopicmass

  • 633.43932

smiles

  • O=C1O[C@@]2(C[C@@H](C(=C)CC2)[C@@H](C(=O)CCC=C(C)C)C)C=C1N([C@H]([C@H](O)CCC=C[C@@H](C[C@@H](CC)C)C)CC3=CC=C(O)C=C3)C

subset

  • 2_STAR

synonym EXACT

  • (5S,7R)-3-[[(2S,3R,8R,10R)-3-hydroxy-1-(4-hydroxyphenyl)-8,10-dimethyldodec-6-en-2-yl]-methylamino]-8-methylidene-7-[(2S)-7-methyl-3-oxooct-6-en-2-yl]-1-oxaspiro[4.5]dec-3-en-2-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:216470

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