PCIDB

KNApSAcK Metabolite C00001988

Metabolite

KNApSAcK Entry

id C00001988
Name Adouetine X
CAS RN 19542-37-1
Standard InChI InChI=1S/C28H44N4O4/c1-9-19(6)23-27(34)29-15-14-20-10-12-21(13-11-20)36-25(18(4)5)24(28(35)30-23)31-26(33)22(32(7)8)16-17(2)3/h10-15,17-19,22-25H,9,16H2,1-8H3,(H,29,34)(H,30,35)(H,31,33)/b15-14-/t19-,22-,23-,24-,25-/m0/s1
Standard InChI (Main Layer) InChI=1S/C28H44N4O4/c1-9-19(6)23-27(34)29-15-14-20-10-12-21(13-11-20)36-25(18(4)5)24(28(35)30-23)31-26(33)22(32(7)8)16-17(2)3/h10-15,17-19,22-25H,9,16H2,1-8H3,(H,29,34)(H,30,35)(H,31,33)

Cluster

Phytochemical cluster
KCF-S cluster No. 631

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL550032

KEGG

By LinkDB C09993

CTD

By CAS RN