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Concept information

Preferred term

( ) voacangine (1+)  

Type

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

charge

  • +1

formula

  • C22H29N2O3

inchi

  • InChI=1S/C22H28N2O3/c1-4-14-9-13-11-22(21(25)27-3)19-16(7-8-24(12-13)20(14)22)17-10-15(26-2)5-6-18(17)23-19/h5-6,10,13-14,20,23H,4,7-9,11-12H2,1-3H3/p+1/t13-,14-,20-,22+/m0/s1

inchikey

  • MMAYTCMMKJYIAM-RUGRQLENSA-O

is_conjugate_acid_of

mass

  • 369.484

monoisotopicmass

  • 369.21727

smiles

  • CC[C@H]1C[C@]2(C[C@]3(C4=C(CC[NH+](C2)[C@@]13[H])C=5C=C(C=CC5N4)OC)C(=O)OC)[H]

subset

  • 3_STAR

synonym EXACT

  • (6xi)-12-methoxy-18-(methoxycarbonyl)-2alpha-ibogamin-6-ium

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:146230

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