PCIDB

KNApSAcK Metabolite C00001323

Metabolite

KNApSAcK Entry

id C00001323
Name Squamocin
CAS RN 120298-30-8
Standard InChI InChI=1S/C37H66O7/c1-3-4-5-15-19-30(38)20-17-22-32(40)34-24-26-36(44-34)35-25-23-33(43-35)31(39)21-16-13-11-9-7-6-8-10-12-14-18-29-27-28(2)42-37(29)41/h27-28,30-36,38-40H,3-26H2,1-2H3/t28-,30+,31-,32-,33+,34+,35+,36+/m0/s1
Standard InChI (Main Layer) InChI=1S/C37H66O7/c1-3-4-5-15-19-30(38)20-17-22-32(40)34-24-26-36(44-34)35-25-23-33(43-35)31(39)21-16-13-11-9-7-6-8-10-12-14-18-29-27-28(2)42-37(29)41/h27-28,30-36,38-40H,3-26H2,1-2H3

Cluster

Phytochemical cluster No. 70
KCF-S cluster No. 6

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL41177 CHEMBL502366 CHEMBL453405 CHEMBL452936

KEGG

By LinkDB C08545

CTD

By CAS RN C059660