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Concept information

Preferred term

dibohemamine c  

Type

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

Broader concept

charge

  • 0

formula

  • C29H40N4O6

inchi

  • InChI=1S/C29H40N4O6/c1-14(2)9-22(36)30-26-19(25(39)29(8)21(35)11-16(5)32(26)29)12-18-24(38)28(7)13-20(34)17(6)33(28)27(18)31-23(37)10-15(3)4/h9-10,16-17,20-21,34-35H,11-13H2,1-8H3,(H,30,36)(H,31,37)/t16-,17-,20-,21+,28-,29-/m0/s1

inchikey

  • YZAUCUXAEKJDHU-GZKFWNGVSA-N

mass

  • 540.661

monoisotopicmass

  • 540.29479

smiles

  • O=C1C(=C(NC(=O)C=C(C)C)N2[C@]1([C@H](O)C[C@@H]2C)C)CC3=C(N4[C@H]([C@@H](O)C[C@]4(C3=O)C)C)NC(=O)C=C(C)C

subset

  • 2_STAR

synonym EXACT

  • N-[(5S,7R,8S)-7-hydroxy-2-[[(5S,6S,8S)-6-hydroxy-5,8-dimethyl-3-(3-methylbut-2-enoylamino)-1-oxo-6,7-dihydro-5H-pyrrolizin-2-yl]methyl]-5,8-dimethyl-1-oxo-6,7-dihydro-5H-pyrrolizin-3-yl]-3-methylbut-2-enamide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:227863

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