PCIDB

KNApSAcK Metabolite C00009685

Metabolite

KNApSAcK Entry

id C00009685
Name Glyceollin III
CAS RN 61080-23-7
Standard InChI InChI=1S/C20H18O5/c1-10(2)15-6-11-5-13-17(8-16(11)24-15)23-9-20(22)14-4-3-12(21)7-18(14)25-19(13)20/h3-5,7-8,15,19,21-22H,1,6,9H2,2H3/t15-,19?,20?/m0/s1
Standard InChI (Main Layer) InChI=1S/C20H18O5/c1-10(2)15-6-11-5-13-17(8-16(11)24-15)23-9-20(22)14-4-3-12(21)7-18(14)25-19(13)20/h3-5,7-8,15,19,21-22H,1,6,9H2,2H3

Cluster

Phytochemical cluster No. 15
KCF-S cluster No. 325

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB C15511

CTD

By CAS RN