PCIDB

KNApSAcK Metabolite C00023803

Metabolite

KNApSAcK Entry

id C00023803
Name Dehydroeburicoic acid
CAS RN 6879-05-6
Standard InChI InChI=1S/C31H48O3/c1-19(2)20(3)9-10-21(27(33)34)22-13-17-31(8)24-11-12-25-28(4,5)26(32)15-16-29(25,6)23(24)14-18-30(22,31)7/h11,14,19,21-22,25-26,32H,3,9-10,12-13,15-18H2,1-2,4-8H3,(H,33,34)/t21-,22-,25+,26+,29-,30-,31+/m1/s1
Standard InChI (Main Layer) InChI=1S/C31H48O3/c1-19(2)20(3)9-10-21(27(33)34)22-13-17-31(8)24-11-12-25-28(4,5)26(32)15-16-29(25,6)23(24)14-18-30(22,31)7/h11,14,19,21-22,25-26,32H,3,9-10,12-13,15-18H2,1-2,4-8H3,(H,33,34)

Cluster

Phytochemical cluster
KCF-S cluster No. 551

Link

ChEMBL

By standard InChI CHEMBL1744446
By standard InChI Main Layer CHEMBL1744446

KEGG

By LinkDB C16950

CTD

By CAS RN