PCIDB

KNApSAcK Metabolite C00010083

Metabolite

KNApSAcK Entry

id C00010083
Name Formononetin 7-O-(6''-malonylglucoside) / Formononetin 7-O-glucoside-6''-malonate / Formononetin 7-O-beta-D-glucoside-6''-O-malonate
CAS RN 34232-16-1
Standard InChI InChI=1S/C25H24O12/c1-33-13-4-2-12(3-5-13)16-10-34-17-8-14(6-7-15(17)21(16)29)36-25-24(32)23(31)22(30)18(37-25)11-35-20(28)9-19(26)27/h2-8,10,18,22-25,30-32H,9,11H2,1H3,(H,26,27)/t18?,22-,23+,24?,25-/m1/s1
Standard InChI (Main Layer) InChI=1S/C25H24O12/c1-33-13-4-2-12(3-5-13)16-10-34-17-8-14(6-7-15(17)21(16)29)36-25-24(32)23(31)22(30)18(37-25)11-35-20(28)9-19(26)27/h2-8,10,18,22-25,30-32H,9,11H2,1H3,(H,26,27)

Cluster

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

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB C16222

CTD

By CAS RN