PCIDB

KNApSAcK Metabolite C00003710

Metabolite

KNApSAcK Entry

id C00003710
Name Glaucarubin
CAS RN 1448-23-3
Standard InChI InChI=1S/C25H36O10/c1-6-22(4,31)21(30)35-16-15-11(3)17(27)25(32)20-23(5)12(10(2)7-13(26)18(23)28)8-14(34-19(16)29)24(15,20)9-33-25/h7,11-18,20,26-28,31-32H,6,8-9H2,1-5H3/t11-,12+,13+,14-,15-,16-,17-,18-,20-,22+,23-,24+,25+/m1/s1
Standard InChI (Main Layer) InChI=1S/C25H36O10/c1-6-22(4,31)21(30)35-16-15-11(3)17(27)25(32)20-23(5)12(10(2)7-13(26)18(23)28)8-14(34-19(16)29)24(15,20)9-33-25/h7,11-18,20,26-28,31-32H,6,8-9H2,1-5H3

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 704

Link

ChEMBL

By standard InChI CHEMBL1997250
By standard InChI Main Layer CHEMBL602805 CHEMBL1997250 CHEMBL2106871

KEGG

By LinkDB C08760

CTD

By CAS RN D005900