PCIDB

KNApSAcK Metabolite C00043799

Metabolite

KNApSAcK Entry

id C00043799
Name Oxyallobetulin / (+)-Oxyallobetulin
CAS RN 24035-70-9
Standard InChI InChI=1S/C30H48O3/c1-25(2)14-16-30-17-15-28(6)18(22(30)23(25)33-24(30)32)8-9-20-27(5)12-11-21(31)26(3,4)19(27)10-13-29(20,28)7/h18-23,31H,8-17H2,1-7H3/t18-,19+,20-,21+,22+,23-,27+,28-,29-,30+/m1/s1
Standard InChI (Main Layer) InChI=1S/C30H48O3/c1-25(2)14-16-30-17-15-28(6)18(22(30)23(25)33-24(30)32)8-9-20-27(5)12-11-21(31)26(3,4)19(27)10-13-29(20,28)7/h18-23,31H,8-17H2,1-7H3

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 23

Link

ChEMBL

By standard InChI CHEMBL522595
By standard InChI Main Layer CHEMBL427846 CHEMBL522595

KEGG

By LinkDB

CTD

By CAS RN