PCIDB

KNApSAcK Metabolite C00003443

Metabolite

KNApSAcK Entry

id C00003443
Name Isodonal
CAS RN 16964-56-0
Standard InChI InChI=1S/C22H28O7/c1-11-13-7-14(25)17-21(8-13,18(11)26)19(27)29-16-5-6-20(3,4)15(9-23)22(16,17)10-28-12(2)24/h9,13-17,25H,1,5-8,10H2,2-4H3/t13-,14+,15-,16+,17-,21+,22+/m1/s1
Standard InChI (Main Layer) InChI=1S/C22H28O7/c1-11-13-7-14(25)17-21(8-13,18(11)26)19(27)29-16-5-6-20(3,4)15(9-23)22(16,17)10-28-12(2)24/h9,13-17,25H,1,5-8,10H2,2-4H3

Cluster

Phytochemical cluster No. 41
KCF-S cluster No. 241

Link

ChEMBL

By standard InChI CHEMBL453800
By standard InChI Main Layer CHEMBL453800

KEGG

By LinkDB C09117

CTD

By CAS RN