PCIDB

KNApSAcK Metabolite C00025410

Metabolite

KNApSAcK Entry

id C00025410
Name Epipandoline / 7-Epipandoline / 20-Epipandoline / 20-epi-Pandoline / (+)-20-Epipandoline
CAS RN 56698-80-7
Standard InChI InChI=1S/C21H26N2O3/c1-3-20(25)11-13-10-14(19(24)26-2)17-21(8-9-23(12-20)18(13)21)15-6-4-5-7-16(15)22-17/h4-7,13,18,22,25H,3,8-12H2,1-2H3/t13-,18+,20-,21+/m0/s1
Standard InChI (Main Layer) InChI=1S/C21H26N2O3/c1-3-20(25)11-13-10-14(19(24)26-2)17-21(8-9-23(12-20)18(13)21)15-6-4-5-7-16(15)22-17/h4-7,13,18,22,25H,3,8-12H2,1-2H3

Cluster

Phytochemical cluster No. 4
KCF-S cluster No. 61

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN