PCIDB

KNApSAcK Metabolite C00020512

Metabolite

KNApSAcK Entry

id C00020512
Name Aguerin B
CAS RN 68370-45-6
Standard InChI InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1
Standard InChI (Main Layer) InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3

Cluster

Phytochemical cluster No. 38
KCF-S cluster No. 206

Link

ChEMBL

By standard InChI CHEMBL520721
By standard InChI Main Layer CHEMBL520721

KEGG

By LinkDB

CTD

By CAS RN