PCIDB

KNApSAcK Metabolite C00003323

Metabolite

KNApSAcK Entry

id C00003323
Name Melampodinin / Melampodinin A
CAS RN 60295-53-6
Standard InChI InChI=1S/C25H30O12/c1-10-8-16-18(11(2)22(28)36-16)21(37-24(30)25(6,31)12(3)33-13(4)26)20(34-14(5)27)15(23(29)32-7)9-17-19(10)35-17/h8-9,12,16-21,31H,2H2,1,3-7H3/b10-8+,15-9+/t12-,16+,17+,18-,19-,20-,21-,25+/m0/s1
Standard InChI (Main Layer) InChI=1S/C25H30O12/c1-10-8-16-18(11(2)22(28)36-16)21(37-24(30)25(6,31)12(3)33-13(4)26)20(34-14(5)27)15(23(29)32-7)9-17-19(10)35-17/h8-9,12,16-21,31H,2H2,1,3-7H3

Cluster

Phytochemical cluster No. 38
KCF-S cluster No. 482

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL1965129

KEGG

By LinkDB C09501

CTD

By CAS RN