PCIDB

KNApSAcK Metabolite C00029664

Metabolite

KNApSAcK Entry

id C00029664
Name Almunequin / (+)-Alumunequin
CAS RN 125620-82-8
Standard InChI InChI=1S/C37H66O8/c1-3-4-5-12-16-29(38)17-14-19-31(39)35-24-25-36(45-35)33(41)22-21-32(40)34-23-20-30(44-34)18-13-10-8-6-7-9-11-15-28-26-27(2)43-37(28)42/h26-27,29-36,38-41H,3-25H2,1-2H3/t27-,29?,30-,31-,32+,33-,34+,35+,36+/m0/s1
Standard InChI (Main Layer) InChI=1S/C37H66O8/c1-3-4-5-12-16-29(38)17-14-19-31(39)35-24-25-36(45-35)33(41)22-21-32(40)34-23-20-30(44-34)18-13-10-8-6-7-9-11-15-28-26-27(2)43-37(28)42/h26-27,29-36,38-41H,3-25H2,1-2H3

Cluster

Phytochemical cluster No. 70
KCF-S cluster No. 6

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL499780 CHEMBL447119 CHEMBL506139 CHEMBL1818440

KEGG

By LinkDB

CTD

By CAS RN