PCIDB

KNApSAcK Metabolite C00036534

Metabolite

KNApSAcK Entry

id C00036534
Name 3alpha-Carboxyacetoxyquercinic acid / 3alpha-Carboxyacetoxy-24-methyl-23-oxolanost-8-en-26-oic acid
CAS RN 306963-56-4
Standard InChI InChI=1S/C34H52O7/c1-19(17-25(35)20(2)21(3)30(39)40)22-11-15-34(8)24-9-10-26-31(4,5)27(41-29(38)18-28(36)37)13-14-32(26,6)23(24)12-16-33(22,34)7/h19-22,26-27H,9-18H2,1-8H3,(H,36,37)(H,39,40)/t19-,20+,21?,22-,26+,27-,32-,33-,34+/m1/s1
Standard InChI (Main Layer) InChI=1S/C34H52O7/c1-19(17-25(35)20(2)21(3)30(39)40)22-11-15-34(8)24-9-10-26-31(4,5)27(41-29(38)18-28(36)37)13-14-32(26,6)23(24)12-16-33(22,34)7/h19-22,26-27H,9-18H2,1-8H3,(H,36,37)(H,39,40)

Cluster

Phytochemical cluster
KCF-S cluster No. 1463

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL448136

KEGG

By LinkDB

CTD

By CAS RN