PCIDB

KNApSAcK Metabolite C00031085

Metabolite

KNApSAcK Entry

id C00031085
Name Progenin II
CAS RN 19057-68-2
Standard InChI InChI=1S/C39H62O12/c1-18-8-13-39(46-17-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(45)31(43)34(27(16-40)49-36)50-35-32(44)30(42)29(41)20(3)47-35/h6,18-20,22-36,40-45H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1
Standard InChI (Main Layer) InChI=1S/C39H62O12/c1-18-8-13-39(46-17-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(45)31(43)34(27(16-40)49-36)50-35-32(44)30(42)29(41)20(3)47-35/h6,18-20,22-36,40-45H,7-17H2,1-5H3

Cluster

Phytochemical cluster No. 11
KCF-S cluster No. 17

Link

ChEMBL

By standard InChI CHEMBL395647
By standard InChI Main Layer CHEMBL395647 CHEMBL2036079

KEGG

By LinkDB

CTD

By CAS RN