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Chemistry, part 1

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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 > penicillivinacine
organooxygen compound > penicillivinacine

Preferred term

penicillivinacine  

Type

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

Broader concept

charge

  • 0

formula

  • C22H26N2O4

has_functional_parent

inchi

  • InChI=1S/C22H26N2O4/c1-3-8-18-16-12-7-9-14(2)19(16)24-20(25)17(13-15-10-5-4-6-11-15)23-21(26)22(24,27)28-18/h3-6,8,10-11,13-14,16,18-19,27H,7,9,12H2,1-2H3,(H,23,26)/t14-,16+,18+,19+,22?/m0/s1

inchikey

  • DQBLPIKDHLUJNM-OSOBELDVSA-N

mass

  • 382.460

monoisotopicmass

  • 382.18926

smiles

  • O=C1N2C(O[C@H](C=CC)[C@@H]3[C@H]2[C@H](CCC3)C)(O)C(=O)NC1=CC4=CC=CC=C4

subset

  • 2_STAR

synonym EXACT

  • (2R,3S,7S,8R)-13-benzylidene-10-hydroxy-3-methyl-8-prop-1-enyl-9-oxa-1,12-diazatricyclo[8.4.0.02,7]tetradecane-11,14-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:204109

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