PCIDB

KNApSAcK Metabolite C00034206

Metabolite

KNApSAcK Entry

id C00034206
Name Sambunigrin / (S)-Prunasin / (2S)-Sambunigrin
CAS RN 99-19-4
Standard InChI InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10-,11-,12+,13-,14-/m1/s1
Standard InChI (Main Layer) InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2

Cluster

Phytochemical cluster No. 72
KCF-S cluster No. 45

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL1778417

KEGG

By LinkDB C04273

CTD

By CAS RN