PCIDB

KNApSAcK Metabolite C00023800

Metabolite

KNApSAcK Entry

id C00023800
Name Tumulosic acid
CAS RN 508-24-7
Standard InChI InChI=1S/C31H50O4/c1-18(2)19(3)9-10-20(27(34)35)26-23(32)17-31(8)22-11-12-24-28(4,5)25(33)14-15-29(24,6)21(22)13-16-30(26,31)7/h18,20,23-26,32-33H,3,9-17H2,1-2,4-8H3,(H,34,35)/t20-,23-,24+,25+,26+,29-,30-,31+/m1/s1
Standard InChI (Main Layer) InChI=1S/C31H50O4/c1-18(2)19(3)9-10-20(27(34)35)26-23(32)17-31(8)22-11-12-24-28(4,5)25(33)14-15-29(24,6)21(22)13-16-30(26,31)7/h18,20,23-26,32-33H,3,9-17H2,1-2,4-8H3,(H,34,35)

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 86

Link

ChEMBL

By standard InChI CHEMBL461484
By standard InChI Main Layer CHEMBL461484

KEGG

By LinkDB

CTD

By CAS RN