PCIDB

KNApSAcK Metabolite C00024909

Metabolite

KNApSAcK Entry

id C00024909
Name Hetisinone / 2-Dehydrohetisine
CAS RN 4829-55-4
Standard InChI InChI=1S/C20H25NO3/c1-8-3-19-6-10-15-18(2)4-9(22)5-20(15)16(19)14(24)11(8)13(23)12(19)17(20)21(10)7-18/h10-17,23-24H,1,3-7H2,2H3/t10-,11-,12+,13?,14+,15?,16+,17?,18+,19?,20-/m0/s1
Standard InChI (Main Layer) InChI=1S/C20H25NO3/c1-8-3-19-6-10-15-18(2)4-9(22)5-20(15)16(19)14(24)11(8)13(23)12(19)17(20)21(10)7-18/h10-17,23-24H,1,3-7H2,2H3

Cluster

Phytochemical cluster No. 10
KCF-S cluster No. 121

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN