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Concept information

Preferred term

ZINC100067438  

Type

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

charge

  • 0

formula

  • C22H31NO4

inchi

  • InChI=1S/C22H31NO4/c1-5-6-15-9-8-14-11-13(2)7-10-16(14)22(15,3)20(26)18-19(25)17(12-24)23(4)21(18)27/h5-6,8-9,13-17,24,26H,7,10-12H2,1-4H3/b6-5+,20-18?/t13-,14-,15-,16-,17-,22-/m1/s1

inchikey

  • QNQBPPQLRODXET-MUNKVMLYSA-N

mass

  • 373.493

monoisotopicmass

  • 373.22531

smiles

  • OC([C@]1([C@]2([C@@](C[C@@H](CC2)C)(C=C[C@H]1/C=C/C)[H])[H])C)=C3C(=O)[C@H](N(C3=O)C)CO

subset

  • 2_STAR

synonym EXACT

  • (5R)-3-[[(1S,2R,4aS,6R,8aR)-1,6-dimethyl-2-[(E)-prop-1-enyl]-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-hydroxymethylidene]-5-(hydroxymethyl)-1-methylpyrrolidine-2,4-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:182255

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