PCIDB

KNApSAcK Metabolite C00012639

Metabolite

KNApSAcK Entry

id C00012639
Name NT 1 / Toxin T 1 / Toxin NT 1 / Isoneosolaniol
CAS RN 65180-29-2
Standard InChI InChI=1S/C19H26O8/c1-9-5-13-18(7-20,6-12(9)25-10(2)21)17(4)15(26-11(3)22)14(23)16(27-13)19(17)8-24-19/h5,12-16,20,23H,6-8H2,1-4H3/t12-,13+,14+,15+,16+,17?,18+,19?/m0/s1
Standard InChI (Main Layer) InChI=1S/C19H26O8/c1-9-5-13-18(7-20,6-12(9)25-10(2)21)17(4)15(26-11(3)22)14(23)16(27-13)19(17)8-24-19/h5,12-16,20,23H,6-8H2,1-4H3

Cluster

Phytochemical cluster
KCF-S cluster No. 539

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL152525 CHEMBL523782

KEGG

By LinkDB

CTD

By CAS RN C032169