PCIDB

KNApSAcK Metabolite C00001642

Metabolite

KNApSAcK Entry

id C00001642
Name Heteratisine
CAS RN 3328-84-5
Standard InChI InChI=1S/C22H33NO5/c1-4-23-10-20(2)7-6-13(27-3)22-12-9-11-5-8-21(26,14(12)19(25)28-11)15(18(22)23)16(24)17(20)22/h11-18,24,26H,4-10H2,1-3H3/t11-,12+,13-,14+,15-,16+,17+,18?,20-,21+,22-/m0/s1
Standard InChI (Main Layer) InChI=1S/C22H33NO5/c1-4-23-10-20(2)7-6-13(27-3)22-12-9-11-5-8-21(26,14(12)19(25)28-11)15(18(22)23)16(24)17(20)22/h11-18,24,26H,4-10H2,1-3H3

Cluster

Phytochemical cluster
KCF-S cluster No. 3194

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL2003454

KEGG

By LinkDB C08686

CTD

By CAS RN C109503