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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 > chetocochliodin c
organooxygen compound > chetocochliodin c

Preferred term

chetocochliodin c  

Type

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

Broader concept

charge

  • 0

formula

  • C16H19N3O4S

has_functional_parent

inchi

  • InChI=1S/C16H19N3O4S/c1-23-15(7-10-8-17-12-6-4-3-5-11(10)12)13(21)19-16(9-20,24-2)14(22)18-15/h3-6,8,17,20H,7,9H2,1-2H3,(H,18,22)(H,19,21)/t15-,16+/m0/s1

inchikey

  • YGHYUNOVXLIFHZ-JKSUJKDBSA-N

mass

  • 349.410

monoisotopicmass

  • 349.10963

smiles

  • S([C@]1(NC(=O)[C@@](OC)(CC=2C3=C(C=CC=C3)NC2)NC1=O)CO)C

subset

  • 2_STAR

synonym EXACT

  • (3R,6S)-3-(hydroxymethyl)-6-(1H-indol-3-ylmethyl)-6-methoxy-3-methylsulanylpiperazine-2,5-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:224107

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