Metabolite

KNApSAcK Entry

id C00025565
Name Grahamine / Grahamine(Schizanthus)
CAS RN 125685-27-0
Standard InChI InChI=1S/C48H61N3O12/c1-8-25(3)58-44(54)33-18-27-15-31(21-34(33)49(27)5)61-45(55)41-40(26-12-10-9-11-13-26)42-46(56)62-37-19-29-17-32(23-35(37)50(29)6)60-43(53)24(2)14-39(52)59-30-16-28-20-38(36(22-30)51(28)7)63-47(57)48(41,42)4/h8-14,27-38,40-42H,15-23H2,1-7H3/b24-14+,25-8-
Standard InChI (Main Layer) InChI=1S/C48H61N3O12/c1-8-25(3)58-44(54)33-18-27-15-31(21-34(33)49(27)5)61-45(55)41-40(26-12-10-9-11-13-26)42-46(56)62-37-19-29-17-32(23-35(37)50(29)6)60-43(53)24(2)14-39(52)59-30-16-28-20-38(36(22-30)51(28)7)63-47(57)48(41,42)4/h8-14,27-38,40-42H,15-23H2,1-7H3

Cluster

Phytochemical cluster
KCF-S cluster No. 8555

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

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CTD

By CAS RN