PCIDB

KNApSAcK Metabolite C00005639

Metabolite

KNApSAcK Entry

id C00005639
Name Patuletin 3-glucoside / Patuletin 3-O-beta-D-glucoside
CAS RN 19833-27-3
Standard InChI InChI=1S/C22H22O13/c1-32-20-10(26)5-11-13(15(20)28)16(29)21(19(33-11)7-2-3-8(24)9(25)4-7)35-22-18(31)17(30)14(27)12(6-23)34-22/h2-5,12,14,17-18,22-28,30-31H,6H2,1H3/t12-,14-,17?,18?,22+/m1/s1
Standard InChI (Main Layer) InChI=1S/C22H22O13/c1-32-20-10(26)5-11-13(15(20)28)16(29)21(19(33-11)7-2-3-8(24)9(25)4-7)35-22-18(31)17(30)14(27)12(6-23)34-22/h2-5,12,14,17-18,22-28,30-31H,6H2,1H3

Cluster

Phytochemical cluster No. 15
KCF-S cluster No. 2

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL483837 CHEMBL2037045

KEGG

By LinkDB

CTD

By CAS RN