PCIDB

KNApSAcK Metabolite C00029662

Metabolite

KNApSAcK Entry

id C00029662
Name Alisol A
CAS RN 19885-10-0
Standard InChI InChI=1S/C30H50O5/c1-17(15-21(32)25(34)27(4,5)35)18-9-13-29(7)19(18)16-20(31)24-28(6)12-11-23(33)26(2,3)22(28)10-14-30(24,29)8/h17,20-22,24-25,31-32,34-35H,9-16H2,1-8H3/t17-,20+,21+,22+,24+,25-,28+,29+,30+/m1/s1
Standard InChI (Main Layer) InChI=1S/C30H50O5/c1-17(15-21(32)25(34)27(4,5)35)18-9-13-29(7)19(18)16-20(31)24-28(6)12-11-23(33)26(2,3)22(28)10-14-30(24,29)8/h17,20-22,24-25,31-32,34-35H,9-16H2,1-8H3

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 2321

Link

ChEMBL

By standard InChI CHEMBL467814
By standard InChI Main Layer CHEMBL102988 CHEMBL102361 CHEMBL467814

KEGG

By LinkDB C17459

CTD

By CAS RN C000050