PCIDB

KNApSAcK Metabolite C00002627

Metabolite

KNApSAcK Entry

id C00002627
Name Sesartemin
CAS RN 77394-27-5
Standard InChI InChI=1S/C23H26O8/c1-24-16-5-12(6-17(25-2)22(16)27-4)20-14-9-29-21(15(14)10-28-20)13-7-18(26-3)23-19(8-13)30-11-31-23/h5-8,14-15,20-21H,9-11H2,1-4H3/t14-,15-,20+,21+/m0/s1
Standard InChI (Main Layer) InChI=1S/C23H26O8/c1-24-16-5-12(6-17(25-2)22(16)27-4)20-14-9-29-21(15(14)10-28-20)13-7-18(26-3)23-19(8-13)30-11-31-23/h5-8,14-15,20-21H,9-11H2,1-4H3

Cluster

Phytochemical cluster No. 21
KCF-S cluster No. 38

Link

ChEMBL

By standard InChI CHEMBL1980572
By standard InChI Main Layer CHEMBL453301 CHEMBL1980572 CHEMBL1988515 CHEMBL1990848

KEGG

By LinkDB C10884

CTD

By CAS RN