PCIDB

KNApSAcK Metabolite C00009971

Metabolite

KNApSAcK Entry

id C00009971
Name 2,3-Dihydroauriculatin / 5,2',4'-Trihydroxy-8-prenyl-6'',6''-dimethylpyrano[2'',3'':7,6]isoflavanone
CAS RN 105594-10-3
Standard InChI InChI=1S/C25H26O6/c1-13(2)5-7-17-23-16(9-10-25(3,4)31-23)21(28)20-22(29)18(12-30-24(17)20)15-8-6-14(26)11-19(15)27/h5-6,8-11,18,26-28H,7,12H2,1-4H3
Standard InChI (Main Layer) InChI=1S/C25H26O6/c1-13(2)5-7-17-23-16(9-10-25(3,4)31-23)21(28)20-22(29)18(12-30-24(17)20)15-8-6-14(26)11-19(15)27/h5-6,8-11,18,26-28H,7,12H2,1-4H3

Cluster

Phytochemical cluster
KCF-S cluster No. 39

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN C050248