PCIDB

KNApSAcK Metabolite C00027680

Metabolite

KNApSAcK Entry

id C00027680
Name 14-Acetyldelcosine / 4-O-Acetyldelcosine
CAS RN 50676-21-6
Standard InChI InChI=1S/C26H41NO8/c1-6-27-11-23(12-32-3)8-7-17(29)25-15-9-14-16(33-4)10-24(30,18(15)19(14)35-13(2)28)26(31,22(25)27)21(34-5)20(23)25/h14-22,29-31H,6-12H2,1-5H3
Standard InChI (Main Layer) InChI=1S/C26H41NO8/c1-6-27-11-23(12-32-3)8-7-17(29)25-15-9-14-16(33-4)10-24(30,18(15)19(14)35-13(2)28)26(31,22(25)27)21(34-5)20(23)25/h14-22,29-31H,6-12H2,1-5H3

Cluster

Phytochemical cluster No. 10
KCF-S cluster No. 31

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL399468

KEGG

By LinkDB

CTD

By CAS RN