PCIDB

KNApSAcK Metabolite C00001859

Metabolite

KNApSAcK Entry

id C00001859
Name Fumaricine
CAS RN 24181-77-9
Standard InChI InChI=1S/C21H23NO5/c1-22-7-6-12-8-16(24-2)17(25-3)9-14(12)21(22)10-13-4-5-15-19(27-11-26-15)18(13)20(21)23/h4-5,8-9,20,23H,6-7,10-11H2,1-3H3/t20-,21+/m0/s1
Standard InChI (Main Layer) InChI=1S/C21H23NO5/c1-22-7-6-12-8-16(24-2)17(25-3)9-14(12)21(22)10-13-4-5-15-19(27-11-26-15)18(13)20(21)23/h4-5,8-9,20,23H,6-7,10-11H2,1-3H3

Cluster

Phytochemical cluster No. 4
KCF-S cluster No. 512

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB C09444

CTD

By CAS RN