PCIDB

KNApSAcK Metabolite C00027392

Metabolite

KNApSAcK Entry

id C00027392
Name Isopyruthaldine
CAS RN 307342-48-9
Standard InChI InChI=1S/C44H52N2O10/c1-46-16-14-30-32(23-39(52-6)44(56-10)43(30)55-9)34(46)18-28-21-37(50-4)36(49-3)20-27(28)17-26-11-12-29(42(54-8)41(26)53-7)33(24-47)40-31-22-38(51-5)35(48-2)19-25(31)13-15-45-40/h11-12,19-24,34,45H,13-18H2,1-10H3/b40-33+
Standard InChI (Main Layer) InChI=1S/C44H52N2O10/c1-46-16-14-30-32(23-39(52-6)44(56-10)43(30)55-9)34(46)18-28-21-37(50-4)36(49-3)20-27(28)17-26-11-12-29(42(54-8)41(26)53-7)33(24-47)40-31-22-38(51-5)35(48-2)19-25(31)13-15-45-40/h11-12,19-24,34,45H,13-18H2,1-10H3

Cluster

Phytochemical cluster
KCF-S cluster No. 2328

Link

ChEMBL

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By standard InChI Main Layer

KEGG

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CTD

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