PCIDB

KNApSAcK Metabolite C00003434

Metabolite

KNApSAcK Entry

id C00003434
Name Grayanotoxin I
CAS RN 4720-09-6
Standard InChI InChI=1S/C22H36O7/c1-11(23)29-17-12-6-7-13-20(5,27)14-8-15(24)18(2,3)22(14,28)16(25)9-21(13,17)10-19(12,4)26/h12-17,24-28H,6-10H2,1-5H3/t12-,13+,14+,15+,16-,17+,19-,20-,21+,22+/m1/s1
Standard InChI (Main Layer) InChI=1S/C22H36O7/c1-11(23)29-17-12-6-7-13-20(5,27)14-8-15(24)18(2,3)22(14,28)16(25)9-21(13,17)10-19(12,4)26/h12-17,24-28H,6-10H2,1-5H3

Cluster

Phytochemical cluster No. 45
KCF-S cluster No. 320

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL169387 CHEMBL490705 CHEMBL1971906

KEGG

By LinkDB C09103

CTD

By CAS RN C001311