PCIDB

KNApSAcK Metabolite C00037345

Metabolite

KNApSAcK Entry

id C00037345
Name Isosalvianolic acid C
CAS RN 142115-17-1
Standard InChI InChI=1S/C26H20O10/c27-17-6-1-13(9-19(17)29)10-23(26(33)34)35-24(32)8-4-14-3-7-18(28)25-16(14)5-2-15-11-20(30)21(31)12-22(15)36-25/h1-9,11-12,23,27-31H,10H2,(H,33,34)/b8-4+/t23-/m1/s1
Standard InChI (Main Layer) InChI=1S/C26H20O10/c27-17-6-1-13(9-19(17)29)10-23(26(33)34)35-24(32)8-4-14-3-7-18(28)25-16(14)5-2-15-11-20(30)21(31)12-22(15)36-25/h1-9,11-12,23,27-31H,10H2,(H,33,34)

Cluster

Phytochemical cluster
KCF-S cluster No. 494

Link

ChEMBL

By standard InChI CHEMBL464633
By standard InChI Main Layer CHEMBL464633

KEGG

By LinkDB

CTD

By CAS RN