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Concept information

Preferred term

n-acetylserotonin glucuronide  

Type

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

Broader concept

charge

  • 0

formula

  • C18H22N2O8

inchi

  • InChI=1S/C18H22N2O8/c1-8(21)19-5-4-9-7-20-12-3-2-10(6-11(9)12)27-18-15(24)13(22)14(23)16(28-18)17(25)26/h2-3,6-7,13-16,18,20,22-24H,4-5H2,1H3,(H,19,21)(H,25,26)/t13-,14-,15+,16-,18+/m0/s1

inchikey

  • DRKQFNYKSNWOTC-RNGZQALNSA-N

mass

  • 394.380

monoisotopicmass

  • 394.13762

smiles

  • O1[C@@H](OC2=CC=3C(CCNC(=O)C)=CNC3C=C2)[C@H](O)[C@@H](O)[C@H](O)[C@H]1C(O)=O

subset

  • 2_STAR

synonym EXACT

  • (2S,3S,4S,5R,6S)-6-[[3-(2-acetamidoethyl)-1H-indol-5-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:166586

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