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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 > indole alkaloid > terpenoid indole alkaloid > monoterpenoid indole alkaloid > pleiokomenine a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > heteroorganic entity > organonitrogen compound > alkaloid > indole alkaloid > terpenoid indole alkaloid > monoterpenoid indole alkaloid > pleiokomenine a

Preferred term

pleiokomenine a  

Type

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

Broader concept

charge

  • 0

formula

  • C45H56N4O4

inchi

  • InChI=1S/C45H56N4O4/c1-46-34-9-7-28(24-30(34)42-17-21-48-19-5-11-40(38(42)48)13-15-44(42,46)32(26-40)36(50)52-3)23-29-8-10-35-31(25-29)43-18-22-49-20-6-12-41(39(43)49)14-16-45(43,47(35)2)33(27-41)37(51)53-4/h7-10,24-25,32-33,38-39H,5-6,11-23,26-27H2,1-4H3/t32?,33?,38-,39-,40+,41+,42+,43?,44+,45?/m0/s1

inchikey

  • RJJDPKDKAKXJTE-XUXMBKKXSA-N

mass

  • 716.952

monoisotopicmass

  • 716.43016

smiles

  • CN1C=2C=CC(CC=3C=CC4=C(C3)[C@@]56CCN7CCC[C@@]8(CC([C@@]5(CC8)N4C)C(OC)=O)[C@@H]67)=CC2C9%10CCN%11CCC[C@@]%12(CC(C91CC%12)C(OC)=O)[C@@H]%10%11

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:141944

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