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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 > isoquinoline alkaloid > benzylisoquinoline alkaloid > bisbenzylisoquinoline alkaloid > fetidine
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > heteroorganic entity > organonitrogen compound > alkaloid > isoquinoline alkaloid > benzylisoquinoline alkaloid > bisbenzylisoquinoline alkaloid > fetidine

Preferred term

fetidine  

Type

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

Broader concept

charge

  • 0

formula

  • C40H46N2O8

inchi

  • InChI=1S/C40H46N2O8/c1-41-13-11-22-17-31(45-4)32(46-5)20-26(22)28(41)15-24-9-10-30(44-3)40(49-8)39(24)50-34-19-25-16-29-36-23(12-14-42(29)2)18-35(48-7)38(43)37(36)27(25)21-33(34)47-6/h9-10,17-21,28-29,43H,11-16H2,1-8H3/t28-,29-/m0/s1

inchikey

  • IBHSRCBKJMEBQB-VMPREFPWSA-N

mass

  • 682.803

monoisotopicmass

  • 682.32542

smiles

  • COc1cc2CCN(C)[C@@H](Cc3ccc(OC)c(OC)c3Oc3cc4C[C@@H]5N(C)CCc6cc(OC)c(O)c(-c4cc3OC)c56)c2cc1OC

subset

  • 2_STAR

synonym EXACT

  • Fetidine

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:5049

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