PCIDB

KNApSAcK Metabolite C00029101

Metabolite

KNApSAcK Entry

id C00029101
Name Thalictrogamine
CAS RN 41928-76-1
Standard InChI InChI=1S/C39H44N2O8/c1-40-10-8-21-14-31(44-3)29(42)18-25(21)27(40)13-24-17-32(45-4)34(47-6)20-30(24)49-35-16-23-12-28-37-22(9-11-41(28)2)15-36(48-7)39(43)38(37)26(23)19-33(35)46-5/h14-20,27-28,42-43H,8-13H2,1-7H3/t27-,28-/m0/s1
Standard InChI (Main Layer) InChI=1S/C39H44N2O8/c1-40-10-8-21-14-31(44-3)29(42)18-25(21)27(40)13-24-17-32(45-4)34(47-6)20-30(24)49-35-16-23-12-28-37-22(9-11-41(28)2)15-36(48-7)39(43)38(37)26(23)19-33(35)46-5/h14-20,27-28,42-43H,8-13H2,1-7H3

Cluster

Phytochemical cluster No. 4
KCF-S cluster No. 89

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

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CTD

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