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Chemistry, part 1

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > amino-acid derivative > asparagine derivative > dkxanthene 548

Preferred term

dkxanthene 548  

Type

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

Broader concept

charge

  • 0

formula

  • C30H36N4O6

inchi

  • InChI=1S/C30H36N4O6/c1-19(17-20(2)18-24-22(4)40-25(33-24)15-14-23-13-10-16-32-23)11-8-6-5-7-9-12-21(3)29(37)34-26(30(38)39)27(35)28(31)36/h5-18,22,24,26-27,32,35H,1-4H3,(H2,31,36)(H,34,37)(H,38,39)/b6-5+,9-7+,11-8+,15-14+,19-17+,20-18+,21-12+/t22-,24-,26?,27?/m1/s1

inchikey

  • ZMCUTJOWWLFLCH-MQMJZJKHSA-N

mass

  • 548.640

monoisotopicmass

  • 548.26348

smiles

  • O=C(NC(C(=O)O)C(O)C(=O)N)/C(=C/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)/C

subset

  • 2_STAR

synonym EXACT

  • 4-amino-3-hydroxy-4-oxo-2-[[(2E,4E,6E,8E,10E,12E)-2,10,12-trimethyl-13-[(4R,5R)-5-methyl-2-[(E)-2-(1H-pyrrol-2-yl)ethenyl]-4,5-dihydro-1,3-oxazol-4-yl]trideca-2,4,6,8,10,12-hexaenoyl]amino]butanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:206018

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