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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 > alkaloid > harmala alkaloid > (1r*,3r*,3's*)-1,2,3,4-tetrahydro-1-(2-thio-3-pyrrolidinyl)-beta-carboline-3-carboxylic acid

Preferred term

(1r*,3r*,3's*)-1,2,3,4-tetrahydro-1-(2-thio-3-pyrrolidinyl)-beta-carboline-3-carboxylic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C16H17N3O2S

inchi

  • InChI=1S/C16H17N3O2S/c20-16(21)12-7-10-8-3-1-2-4-11(8)18-14(10)13(19-12)9-5-6-17-15(9)22/h1-4,9,12-13,18-19H,5-7H2,(H,17,22)(H,20,21)

inchikey

  • YHAYSIGUKKXZJH-UHFFFAOYSA-N

mass

  • 315.390

monoisotopicmass

  • 315.10415

smiles

  • S=C1NCCC1C2NC(CC3=C2NC=4C3=CC=CC4)C(O)=O

subset

  • 2_STAR

synonym EXACT

  • 1-(2-sulanylidenepyrrolidin-3-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:193547

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