PCIDB

KNApSAcK Metabolite C00001583

Metabolite

KNApSAcK Entry

id C00001583
Name Betanidin
CAS RN 2181-76-2
Standard InChI InChI=1S/C18H17N2O8/c21-14-6-9-5-13(18(27)28)20(12(9)7-15(14)22)2-1-8-3-10(16(23)24)19-11(4-8)17(25)26/h1-3,6-7,11,13,19,21-22H,4-5H2,(H,23,24)(H,25,26)(H,27,28)/q+2/p-1/t11-/m0/s1
Standard InChI (Main Layer) InChI=1S/C18H17N2O8/c21-14-6-9-5-13(18(27)28)20(12(9)7-15(14)22)2-1-8-3-10(16(23)24)19-11(4-8)17(25)26/h1-3,6-7,11,13,19,21-22H,4-5H2,(H,23,24)(H,25,26)(H,27,28)

Cluster

Phytochemical cluster No. 71
KCF-S cluster No. 1635

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB C08539

CTD

By CAS RN