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Concept information

Preferred term

DKxanthene 492  

Type

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

charge

  • 0

formula

  • C27H32N4O5

inchi

  • InChI=1S/C27H32N4O5/c1-18(16-22-20(3)36-25(30-22)14-13-21-12-9-15-29-21)10-7-5-4-6-8-11-19(2)26(33)31-23(27(34)35)17-24(28)32/h4-16,20,22-23,29H,17H2,1-3H3,(H2,28,32)(H,31,33)(H,34,35)/b5-4+,8-6+,10-7+,14-13+,18-16+,19-11+/t20-,22-,23?/m1/s1

inchikey

  • YCNMXONAOSPSEX-XLWDLCQDSA-N

mass

  • 492.576

monoisotopicmass

  • 492.23727

smiles

  • O=C(NC(C(=O)O)CC(=O)N)/C(=C/C=C/C=C/C=C/C(=C/[C@H]1N=C(/C=C/C=2NC=CC2)O[C@@H]1C)/C)/C

subset

  • 2_STAR

synonym EXACT

  • 4-amino-2-[[(2E,4E,6E,8E,10E)-2,10-dimethyl-11-[(4R,5R)-5-methyl-2-[(E)-2-(1H-pyrrol-2-yl)ethenyl]-4,5-dihydro-1,3-oxazol-4-yl]undeca-2,4,6,8,10-pentaenoyl]amino]-4-oxobutanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:202477

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