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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 > lsm-6354
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > heteroorganic entity > organonitrogen compound > alkaloid > lsm-6354

Preferred term

lsm-6354  

Type

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

Broader concept

charge

  • 0

formula

  • C45H54N4O8

inchi

  • InChI=1S/C45H54N4O8/c1-8-26-19-27-23-48(22-26)24-30-28-13-10-11-14-32(28)46-37(30)36(38(51)55-6)35(27)29-20-31-33(21-34(29)54-5)47(4)40-44(31)16-18-49-17-12-15-43(9-2,39(44)49)41(57-25(3)50)45(40,53)42(52)56-7/h10-15,19-21,27,35-36,39-41,46,53H,8-9,16-18,22-24H2,1-7H3/t27-,35-,36-,39+,40?,41-,43?,44-,45+/m1/s1

inchikey

  • CGXIIXQQCPGCFA-JDGUWALYSA-N

mass

  • 778.934

monoisotopicmass

  • 778.39416

smiles

  • CCC1=C[C@@H]2CN(C1)CC3=C([C@@H]([C@H]2C4=C(C=C5C(=C4)[C@]67CCN8[C@H]6C(C=CC8)([C@H]([C@@](C7N5C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)NC9=CC=CC=C39

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:95097

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