PCIDB

KNApSAcK Metabolite C00017292

Metabolite

KNApSAcK Entry

id C00017292
Name Tessaric acid / [2R-(2alpha,8alpha,8aalpha)]-1,2,3,4,6,7,8,8a-Octahydro-8,8a-dimethyl-a-methylene-6-oxo-2-naphthaleneacetic acid
CAS RN 58142-10-2
Standard InChI InChI=1S/C15H20O3/c1-9-6-13(16)7-12-5-4-11(8-15(9,12)3)10(2)14(17)18/h7,9,11H,2,4-6,8H2,1,3H3,(H,17,18)/t9-,11+,15+/m0/s1
Standard InChI (Main Layer) InChI=1S/C15H20O3/c1-9-6-13(16)7-12-5-4-11(8-15(9,12)3)10(2)14(17)18/h7,9,11H,2,4-6,8H2,1,3H3,(H,17,18)

Cluster

Phytochemical cluster
KCF-S cluster No. 1429

Link

ChEMBL

By standard InChI CHEMBL187784
By standard InChI Main Layer CHEMBL187784

KEGG

By LinkDB

CTD

By CAS RN