PCIDB

KNApSAcK Metabolite C00022630

Metabolite

KNApSAcK Entry

id C00022630
Name 18-Acetoxygrindelic acid
CAS RN 81916-44-1
Standard InChI InChI=1S/C22H34O5/c1-15-7-8-17-19(3,14-26-16(2)23)9-6-10-21(17,5)22(15)12-11-20(4,27-22)13-18(24)25/h7,17H,6,8-14H2,1-5H3,(H,24,25)/t17-,19-,20-,21-,22+/m0/s1
Standard InChI (Main Layer) InChI=1S/C22H34O5/c1-15-7-8-17-19(3,14-26-16(2)23)9-6-10-21(17,5)22(15)12-11-20(4,27-22)13-18(24)25/h7,17H,6,8-14H2,1-5H3,(H,24,25)

Cluster

Phytochemical cluster No. 38
KCF-S cluster No. 252

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN