PCIDB

KNApSAcK Metabolite C00000172

Metabolite

KNApSAcK Entry

id C00000172
Name Absinthin
CAS RN 1362-42-1
Standard InChI InChI=1S/C30H40O6/c1-12-11-18-20-21(30(12)24(18)29(6,34)10-8-17-14(3)27(32)36-25(17)30)15(4)19-22(20)28(5,33)9-7-16-13(2)26(31)35-23(16)19/h11,13-14,16-18,20-25,33-34H,7-10H2,1-6H3/t13-,14-,16?,17-,18+,20?,21?,22-,23-,24?,25?,28-,29-,30+/m0/s1
Standard InChI (Main Layer) InChI=1S/C30H40O6/c1-12-11-18-20-21(30(12)24(18)29(6,34)10-8-17-14(3)27(32)36-25(17)30)15(4)19-22(20)28(5,33)9-7-16-13(2)26(31)35-23(16)19/h11,13-14,16-18,20-25,33-34H,7-10H2,1-6H3

Cluster

Phytochemical cluster No. 38
KCF-S cluster No. 837

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL501255

KEGG

By LinkDB C09286

CTD

By CAS RN C075877