PCIDB

KNApSAcK Metabolite C00037440

Metabolite

KNApSAcK Entry

id C00037440
Name Lup-20(29)-ene-1beta,3beta-diol
CAS RN 29028-10-2
Standard InChI InChI=1S/C30H50O2/c1-18(2)19-11-13-27(5)15-16-28(6)20(25(19)27)9-10-22-29(28,7)14-12-21-26(3,4)23(31)17-24(32)30(21,22)8/h19-25,31-32H,1,9-17H2,2-8H3/t19-,20+,21-,22-,23-,24+,25+,27+,28+,29+,30-/m0/s1
Standard InChI (Main Layer) InChI=1S/C30H50O2/c1-18(2)19-11-13-27(5)15-16-28(6)20(25(19)27)9-10-22-29(28,7)14-12-21-26(3,4)23(31)17-24(32)30(21,22)8/h19-25,31-32H,1,9-17H2,2-8H3

Cluster

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

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL470447 CHEMBL513037

KEGG

By LinkDB

CTD

By CAS RN