PCIDB

KNApSAcK Metabolite C00034978

Metabolite

KNApSAcK Entry

id C00034978
Name Secologanic acid
CAS RN 22864-93-3
Standard InChI InChI=1S/C16H22O10/c1-2-7-8(3-4-17)9(14(22)23)6-24-15(7)26-16-13(21)12(20)11(19)10(5-18)25-16/h2,4,6-8,10-13,15-16,18-21H,1,3,5H2,(H,22,23)/t7-,8+,10-,11-,12+,13-,15+,16+/m1/s1
Standard InChI (Main Layer) InChI=1S/C16H22O10/c1-2-7-8(3-4-17)9(14(22)23)6-24-15(7)26-16-13(21)12(20)11(19)10(5-18)25-16/h2,4,6-8,10-13,15-16,18-21H,1,3,5H2,(H,22,23)

Cluster

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

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB C01957

CTD

By CAS RN