PCIDB

KNApSAcK Metabolite C00029749

Metabolite

KNApSAcK Entry

id C00029749
Name Asperulosidic acid
CAS RN 25368-11-0
Standard InChI InChI=1S/C18H24O12/c1-6(20)27-4-7-2-9(21)12-8(16(25)26)5-28-17(11(7)12)30-18-15(24)14(23)13(22)10(3-19)29-18/h2,5,9-15,17-19,21-24H,3-4H2,1H3,(H,25,26)/t9-,10+,11+,12-,13+,14-,15+,17-,18-/m0/s1
Standard InChI (Main Layer) InChI=1S/C18H24O12/c1-6(20)27-4-7-2-9(21)12-8(16(25)26)5-28-17(11(7)12)30-18-15(24)14(23)13(22)10(3-19)29-18/h2,5,9-15,17-19,21-24H,3-4H2,1H3,(H,25,26)

Cluster

Phytochemical cluster No. 36
KCF-S cluster No. 100

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL389958

KEGG

By LinkDB

CTD

By CAS RN