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Chemistry, part 2

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > isoprenoid > terpenoid > diterpenoid > pyrenosetin c
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > diterpenoid > pyrenosetin c

Preferred term

pyrenosetin c  

Type

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

Broader concept

charge

  • 0

formula

  • C25H33NO5

inchi

  • InChI=1S/C25H33NO5/c1-13-6-8-17-16(10-13)11-14(2)20-18(9-7-15(3)28)25(22(30)24(17,20)4)21(29)19(12-27)26(5)23(25)31/h7,9,11,13,16-20,27H,6,8,10,12H2,1-5H3/t13-,16+,17-,18+,19+,20+,24+,25-/m0/s1

inchikey

  • LQXNTMMEAPEMLM-DMLHXFJKSA-N

mass

  • 427.541

monoisotopicmass

  • 427.23587

smiles

  • O=C1N([C@H](CO)C([C@@]12C(=O)[C@@]3([C@@H]4[C@H](C[C@@H](C)CC4)C=C([C@@H]3[C@H]2C=CC(=O)C)C)C)=O)C

subset

  • 2_STAR

synonym EXACT

  • (2R,3R,3aS,5'R,5aR,7S,9aS,9bR)-5'-(hydroxymethyl)-1',4,7,9b-tetramethyl-3-(3-oxobut-1-enyl)spiro[3,3a,5a,6,7,8,9,9a-octahydrocyclopenta[a]naphthalene-2,3'-pyrrolidine]-1,2',4'-trione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:209664

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