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Concept information

Preferred term

roquefortine i  

Type

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

Broader concept

charge

  • 0

formula

  • C23H25N5O3

inchi

  • InChI=1S/C23H25N5O3/c1-5-21(2,3)22-12-23(31-4)20(30)27-17(10-14-11-24-13-25-14)18(29)28(23)19(22)26-16-9-7-6-8-15(16)22/h5-11,13,19,26H,1,12H2,2-4H3,(H,24,25)(H,27,30)/b17-10+/t19-,22+,23?/m0/s1

inchikey

  • VBCVNTFADLECCP-UINVOOSUSA-N

mass

  • 419.485

monoisotopicmass

  • 419.19574

smiles

  • O=C/1N2C(OC)(C(=O)N/C1=C/C=3NC=NC3)C[C@@]4([C@H]2NC=5C=CC=CC45)C(C=C)(C)C

subset

  • 2_STAR

synonym EXACT

  • (1S,4E,9R)-4-(1H-imidazol-5-ylmethylidene)-7-methoxy-9-(2-methylbut-3-en-2-yl)-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:200529

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