PCIDB

KNApSAcK Metabolite C00000869

Metabolite

KNApSAcK Entry

id C00000869
Name Abietal / 7,13-Abietadien-18-al / Abieta-7,13-diene-18-al
CAS RN 6704-50-3
Standard InChI InChI=1S/C20H30O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h7,12-14,17-18H,5-6,8-11H2,1-4H3/t17-,18-,19-,20+/m0/s1
Standard InChI (Main Layer) InChI=1S/C20H30O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h7,12-14,17-18H,5-6,8-11H2,1-4H3

Cluster

Phytochemical cluster No. 40
KCF-S cluster No. 1536

Link

ChEMBL

By standard InChI CHEMBL563793
By standard InChI Main Layer CHEMBL563793

KEGG

By LinkDB C11887

CTD

By CAS RN