PCIDB

KNApSAcK Metabolite C00035551

Metabolite

KNApSAcK Entry

id C00035551
Name Cabraleone
CAS RN 35761-54-7
Standard InChI InChI=1S/C30H50O3/c1-25(2)21-12-17-29(7)22(27(21,5)15-13-23(25)31)10-9-19-20(11-16-28(19,29)6)30(8)18-14-24(33-30)26(3,4)32/h19-22,24,32H,9-18H2,1-8H3/t19-,20+,21+,22-,24?,27+,28-,29-,30+/m1/s1
Standard InChI (Main Layer) InChI=1S/C30H50O3/c1-25(2)21-12-17-29(7)22(27(21,5)15-13-23(25)31)10-9-19-20(11-16-28(19,29)6)30(8)18-14-24(33-30)26(3,4)32/h19-22,24,32H,9-18H2,1-8H3

Cluster

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

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL224139 CHEMBL224481

KEGG

By LinkDB

CTD

By CAS RN