PCIDB

KNApSAcK Metabolite C00005955

Metabolite

KNApSAcK Entry

id C00005955
Name Quercetin 3-(6''-acetylglucoside) / Quercetin 3-O-2G-rhamnosylrutinoside
CAS RN 54542-51-7
Standard InChI InChI=1S/C23H22O13/c1-8(24)33-7-15-17(29)19(31)20(32)23(35-15)36-22-18(30)16-13(28)5-10(25)6-14(16)34-21(22)9-2-3-11(26)12(27)4-9/h2-6,15,17,19-20,23,25-29,31-32H,7H2,1H3/t15-,17-,19?,20?,23+/m1/s1
Standard InChI (Main Layer) InChI=1S/C23H22O13/c1-8(24)33-7-15-17(29)19(31)20(32)23(35-15)36-22-18(30)16-13(28)5-10(25)6-14(16)34-21(22)9-2-3-11(26)12(27)4-9/h2-6,15,17,19-20,23,25-29,31-32H,7H2,1H3

Cluster

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

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL250695 CHEMBL559041

KEGG

By LinkDB

CTD

By CAS RN