PCIDB

KNApSAcK Metabolite C00002749

Metabolite

KNApSAcK Entry

id C00002749
Name Grandidentatin
CAS RN 15732-48-6
Standard InChI InChI=1S/C21H28O9/c22-11-16-18(26)19(27)20(21(29-16)28-15-4-2-1-3-14(15)24)30-17(25)10-7-12-5-8-13(23)9-6-12/h5-10,14-16,18-24,26-27H,1-4,11H2/b10-7+/t14-,15+,16?,18+,19-,20?,21+/m0/s1
Standard InChI (Main Layer) InChI=1S/C21H28O9/c22-11-16-18(26)19(27)20(21(29-16)28-15-4-2-1-3-14(15)24)30-17(25)10-7-12-5-8-13(23)9-6-12/h5-10,14-16,18-24,26-27H,1-4,11H2

Cluster

Phytochemical cluster
KCF-S cluster No. 5630

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL517169

KEGG

By LinkDB C10463

CTD

By CAS RN