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Chemistry, part 3

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

Preferred term

caracurine v  

Type

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

Broader concept

charge

  • 0

formula

  • C38H40N4O2

inchi

  • InChI=1S/C38H40N4O2/c1-3-7-27-25(5-1)37-11-13-39-19-21-10-16-44-36-31(23(21)17-29(37)39)33(37)41(27)35-32-24-18-30-38(12-14-40(30)20-22(24)9-15-43-35)26-6-2-4-8-28(26)42(36)34(32)38/h1-10,23-24,29-36H,11-20H2/t23-,24-,29-,30-,31+,32+,33-,34-,35+,36+,37+,38+/m0/s1

inchikey

  • CIRUUTNLDXXBKU-HCKBHOMASA-N

mass

  • 584.751

monoisotopicmass

  • 584.31513

smiles

  • C=1C=CC=2N3[C@]4([C@]5([C@@]6([H])C[C@@]7(N(CC[C@]47C2C1)CC6=CCO[C@]5(N8[C@@]9([C@]%10(C=%11C=CC=CC%118)[C@@]%12(C[C@@]%13([C@]9([C@]3(OCC=C%13CN%12CC%10)[H])[H])[H])[H])[H])[H])[H])[H])[H]

subset

  • 2_STAR

synonym EXACT

  • Caracurine V

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:3382

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