PCIDB

KNApSAcK Metabolite C00010110

Metabolite

KNApSAcK Entry

id C00010110
Name Genistein 7-O-glucoside-6''-malonate / Genistein 7-O-beta-D-glucoside 6''-O-malonate
CAS RN 51011-05-3
Standard InChI InChI=1S/C24H22O13/c25-11-3-1-10(2-4-11)13-8-34-15-6-12(5-14(26)19(15)20(13)30)36-24-23(33)22(32)21(31)16(37-24)9-35-18(29)7-17(27)28/h1-6,8,16,21-26,31-33H,7,9H2,(H,27,28)/t16?,21-,22+,23?,24-/m1/s1
Standard InChI (Main Layer) InChI=1S/C24H22O13/c25-11-3-1-10(2-4-11)13-8-34-15-6-12(5-14(26)19(15)20(13)30)36-24-23(33)22(32)21(31)16(37-24)9-35-18(29)7-17(27)28/h1-6,8,16,21-26,31-33H,7,9H2,(H,27,28)

Cluster

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

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB C16192

CTD

By CAS RN