PCIDB

KNApSAcK Metabolite C00008456

Metabolite

KNApSAcK Entry

id C00008456
Name 4'-Methylsigmoidin B
CAS RN 114340-00-0
Standard InChI InChI=1S/C21H22O6/c1-11(2)4-5-12-6-13(7-17(25)21(12)26-3)18-10-16(24)20-15(23)8-14(22)9-19(20)27-18/h4,6-9,18,22-23,25H,5,10H2,1-3H3
Standard InChI (Main Layer) InChI=1S/C21H22O6/c1-11(2)4-5-12-6-13(7-17(25)21(12)26-3)18-10-16(24)20-15(23)8-14(22)9-19(20)27-18/h4,6-9,18,22-23,25H,5,10H2,1-3H3

Cluster

Phytochemical cluster No. 14
KCF-S cluster No. 28

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN C055273