PCIDB

KNApSAcK Metabolite C00022322

Metabolite

KNApSAcK Entry

id C00022322
Name Illurinic acid / Daniellic acid
CAS RN 1235-77-4
Standard InChI InChI=1S/C20H28O3/c1-14-5-8-17-19(2,10-4-11-20(17,3)18(21)22)16(14)7-6-15-9-12-23-13-15/h9,12-13,16-17H,1,4-8,10-11H2,2-3H3,(H,21,22)/t16-,17+,19+,20-/m1/s1
Standard InChI (Main Layer) InChI=1S/C20H28O3/c1-14-5-8-17-19(2,10-4-11-20(17,3)18(21)22)16(14)7-6-15-9-12-23-13-15/h9,12-13,16-17H,1,4-8,10-11H2,2-3H3,(H,21,22)

Cluster

Phytochemical cluster
KCF-S cluster No. 408

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL463690 CHEMBL1982659 CHEMBL2048916

KEGG

By LinkDB

CTD

By CAS RN