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Concept information

Preferred term

roquefortine h  

Type

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

Broader concept

charge

  • 0

formula

  • C28H33N5O3

inchi

  • InChI=1S/C28H33N5O3/c1-7-26(3,4)28-14-22-23(35)30-21(12-18-15-32(16-29-18)27(5,6)13-17(2)34)24(36)33(22)25(28)31-20-11-9-8-10-19(20)28/h7-12,15-16,22,25,31H,1,13-14H2,2-6H3,(H,30,35)/b21-12+/t22?,25-,28+/m0/s1

inchikey

  • IOMOQUZQAXSJJI-NPCLQBQOSA-N

mass

  • 487.604

monoisotopicmass

  • 487.25834

smiles

  • O=C/1N2[C@@H]3NC=4C=CC=CC4[C@]3(C(C=C)(C)C)CC2C(=O)N/C1=C/C=5N=CN(C5)C(CC(=O)C)(C)C

subset

  • 2_STAR

synonym EXACT

  • (1S,4E,9R)-9-(2-methylbut-3-en-2-yl)-4-[[1-(2-methyl-4-oxopentan-2-yl)imidazol-4-yl]methylidene]-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:202054

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