skip to main content

Chemistry, part 1

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > thaxtomin c
organooxygen compound > thaxtomin c

Preferred term

thaxtomin c  

Type

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

Broader concept

charge

  • 0

formula

  • C21H20N4O4

has_functional_parent

inchi

  • InChI=1S/C21H20N4O4/c1-24-18(11-14-12-22-15-8-5-9-17(19(14)15)25(28)29)20(26)23-16(21(24)27)10-13-6-3-2-4-7-13/h2-9,12,16,18,22H,10-11H2,1H3,(H,23,26)/t16-,18-/m0/s1

inchikey

  • IAIWBAHUWORDTI-WMZOPIPTSA-N

mass

  • 392.415

monoisotopicmass

  • 392.14846

smiles

  • O=[N+]([O-])C1=C2C(NC=C2C[C@@H]3N(C(=O)[C@H](CC4=CC=CC=C4)NC3=O)C)=CC=C1

subset

  • 2_STAR

synonym EXACT

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

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:217630

Download this concept:

RDF/XML TURTLE JSON-LD