PCIDB

KNApSAcK Metabolite C00010690

Metabolite

KNApSAcK Entry

id C00010690
Name Barlerin / (-)-Barlerin / 8-O-Acetylshanzhiside methyl ester
CAS RN 57420-46-9
Standard InChI InChI=1S/C19H28O12/c1-7(21)31-19(2)4-9(22)11-8(16(26)27-3)6-28-17(12(11)19)30-18-15(25)14(24)13(23)10(5-20)29-18/h6,9-15,17-18,20,22-25H,4-5H2,1-3H3/t9-,10?,11+,12-,13-,14?,15+,17+,18-,19+/m1/s1
Standard InChI (Main Layer) InChI=1S/C19H28O12/c1-7(21)31-19(2)4-9(22)11-8(16(26)27-3)6-28-17(12(11)19)30-18-15(25)14(24)13(23)10(5-20)29-18/h6,9-15,17-18,20,22-25H,4-5H2,1-3H3

Cluster

Phytochemical cluster No. 36
KCF-S cluster No. 56

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL463751 CHEMBL463377

KEGG

By LinkDB

CTD

By CAS RN C099473