PCIDB

KNApSAcK Metabolite C00031183

Metabolite

KNApSAcK Entry

id C00031183
Name Rocagloic acid
CAS RN 190385-15-0
Standard InChI InChI=1S/C27H26O8/c1-32-17-11-9-16(10-12-17)27-22(15-7-5-4-6-8-15)21(25(29)30)24(28)26(27,31)23-19(34-3)13-18(33-2)14-20(23)35-27/h4-14,21-22,24,28,31H,1-3H3,(H,29,30)/t21-,22-,24-,26+,27+/m1/s1
Standard InChI (Main Layer) InChI=1S/C27H26O8/c1-32-17-11-9-16(10-12-17)27-22(15-7-5-4-6-8-15)21(25(29)30)24(28)26(27,31)23-19(34-3)13-18(33-2)14-20(23)35-27/h4-14,21-22,24,28,31H,1-3H3,(H,29,30)

Cluster

Phytochemical cluster
KCF-S cluster No. 449

Link

ChEMBL

By standard InChI CHEMBL518601
By standard InChI Main Layer CHEMBL518601

KEGG

By LinkDB

CTD

By CAS RN