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

Preferred term

pretazettine  

Type

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

Broader concept

charge

  • 0

formula

  • C18H21NO5

inchi

  • InChI=1S/C18H21NO5/c1-19-8-16-18(4-3-10(21-2)5-15(18)19)12-7-14-13(22-9-23-14)6-11(12)17(20)24-16/h3-4,6-7,10,15-17,20H,5,8-9H2,1-2H3/t10-,15+,16+,17-,18+/m1/s1

inchikey

  • KLJOYDMUWKSYBP-YNBLHMCPSA-N

mass

  • 331.364

monoisotopicmass

  • 331.14197

smiles

  • CO[C@H]1C[C@@H]2N(C)C[C@@H]3O[C@@H](O)c4cc5OCOc5cc4[C@@]23C=C1

subset

  • 2_STAR

synonym EXACT

  • Pretazettine

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:8402

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