PCIDB

KNApSAcK Metabolite C00003505

Metabolite

KNApSAcK Entry

id C00003505
Name Barringtogenol C
CAS RN 17304-24-4
Standard InChI InChI=1S/C30H50O5/c1-25(2)14-18-17-8-9-20-27(5)12-11-21(32)26(3,4)19(27)10-13-28(20,6)29(17,7)15-22(33)30(18,16-31)24(35)23(25)34/h8,18-24,31-35H,9-16H2,1-7H3/t18-,19-,20+,21-,22+,23-,24-,27-,28+,29+,30-/m0/s1
Standard InChI (Main Layer) InChI=1S/C30H50O5/c1-25(2)14-18-17-8-9-20-27(5)12-11-21(32)26(3,4)19(27)10-13-28(20,6)29(17,7)15-22(33)30(18,16-31)24(35)23(25)34/h8,18-24,31-35H,9-16H2,1-7H3

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 13

Link

ChEMBL

By standard InChI CHEMBL487606
By standard InChI Main Layer CHEMBL487606

KEGG

By LinkDB C08931

CTD

By CAS RN