PCIDB

KNApSAcK Metabolite C00001565

Metabolite

KNApSAcK Entry

id C00001565
Name Caranine
CAS RN 477-12-3
Standard InChI InChI=1S/C16H17NO3/c18-12-2-1-9-3-4-17-7-10-5-13-14(20-8-19-13)6-11(10)15(12)16(9)17/h1,5-6,12,15-16,18H,2-4,7-8H2/t12-,15-,16-/m1/s1
Standard InChI (Main Layer) InChI=1S/C16H17NO3/c18-12-2-1-9-3-4-17-7-10-5-13-14(20-8-19-13)6-11(10)15(12)16(9)17/h1,5-6,12,15-16,18H,2-4,7-8H2

Cluster

Phytochemical cluster No. 4
KCF-S cluster No. 1156

Link

ChEMBL

By standard InChI CHEMBL575125
By standard InChI Main Layer CHEMBL575125

KEGG

By LinkDB C08521

CTD

By CAS RN