PCIDB

KNApSAcK Metabolite C00034250

Metabolite

KNApSAcK Entry

id C00034250
Name Shoreic acid
CAS RN 21671-00-1
Standard InChI InChI=1S/C30H50O4/c1-19(2)20-11-17-29(7)23(27(20,5)15-14-25(31)32)10-9-21-22(12-16-28(21,29)6)30(8)18-13-24(34-30)26(3,4)33/h20-24,33H,1,9-18H2,2-8H3,(H,31,32)/t20-,21+,22-,23+,24+,27-,28+,29+,30-/m0/s1
Standard InChI (Main Layer) InChI=1S/C30H50O4/c1-19(2)20-11-17-29(7)23(27(20,5)15-14-25(31)32)10-9-21-22(12-16-28(21,29)6)30(8)18-13-24(34-30)26(3,4)33/h20-24,33H,1,9-18H2,2-8H3,(H,31,32)

Cluster

Phytochemical cluster
KCF-S cluster No. 827

Link

ChEMBL

By standard InChI CHEMBL479139
By standard InChI Main Layer CHEMBL479139 CHEMBL479140

KEGG

By LinkDB

CTD

By CAS RN