PCIDB

KNApSAcK Metabolite C00028652

Metabolite

KNApSAcK Entry

id C00028652
Name N-Deacetyllappaconitine
CAS RN 11033-64-0
Standard InChI InChI=1S/C30H42N2O7/c1-5-32-15-27(39-26(33)16-8-6-7-9-19(16)31)11-10-23(37-3)29-21(27)13-18(24(29)32)28(34)14-20(36-2)17-12-22(29)30(28,35)25(17)38-4/h6-9,17-18,20-25,34-35H,5,10-15,31H2,1-4H3/t17-,18?,20+,21-,22+,23+,24?,25+,27-,28+,29?,30+/m1/s1
Standard InChI (Main Layer) InChI=1S/C30H42N2O7/c1-5-32-15-27(39-26(33)16-8-6-7-9-19(16)31)11-10-23(37-3)29-21(27)13-18(24(29)32)28(34)14-20(36-2)17-12-22(29)30(28,35)25(17)38-4/h6-9,17-18,20-25,34-35H,5,10-15,31H2,1-4H3

Cluster

Phytochemical cluster No. 10
KCF-S cluster No. 475

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL453139 CHEMBL509076 CHEMBL2112851

KEGG

By LinkDB

CTD

By CAS RN C055260