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Chemistry, part 1

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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 > de-12-n-methyl-thaxtomin a
organooxygen compound > de-12-n-methyl-thaxtomin a

Preferred term

de-12-n-methyl-thaxtomin a  

Type

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

Broader concept

charge

  • 0

formula

  • C21H20N4O6

has_functional_parent

inchi

  • InChI=1S/C21H20N4O6/c1-24-19(27)16(9-13-11-22-15-6-3-7-17(18(13)15)25(30)31)23-20(28)21(24,29)10-12-4-2-5-14(26)8-12/h2-8,11,16,22,26,29H,9-10H2,1H3,(H,23,28)/t16-,21+/m0/s1

inchikey

  • SQRZSSRGQBFFGK-HRAATJIYSA-N

mass

  • 424.413

monoisotopicmass

  • 424.13828

smiles

  • O=[N+]([O-])C1=C2C(NC=C2C[C@@H]3NC(=O)[C@](O)(CC4=CC(O)=CC=C4)N(C3=O)C)=CC=C1

subset

  • 2_STAR

synonym EXACT

  • (3S,6R)-6-hydroxy-6-[(3-hydroxyphenyl)methyl]-1-methyl-3-[(4-nitro-1H-indol-3-yl)methyl]piperazine-2,5-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:224401

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