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Concept information

Preferred term

sambucus nigra degraded cyanogenic glycosides (2'-epimer)  

Type

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

charge

  • 0

formula

  • C16H19NO8

inchi

  • InChI=1S/C16H19NO8/c1-22-14(20)12(9-18)25-16(13(19)15(21)23-2)24-11(8-17)10-6-4-3-5-7-10/h3-7,11-13,16,18-19H,9H2,1-2H3/t11-,12?,13?,16?/m1/s1

inchikey

  • BQIOAYLGMWMRRP-MPXNVAGNSA-N

mass

  • 353.327

monoisotopicmass

  • 353.11107

smiles

  • O(C(O[C@@H](C1=CC=CC=C1)C#N)C(O)C(OC)=O)C(CO)C(OC)=O

subset

  • 2_STAR

synonym EXACT

  • methyl 3-[(S)-cyano(phenyl)methoxy]-2-hydroxy-3-(3-hydroxy-1-methoxy-1-oxopropan-2-yl)oxypropanoate

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:168593

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