PCIDB

KNApSAcK Metabolite C00010724

Metabolite

KNApSAcK Entry

id C00010724
Name Acevaltrate / Acetovaltrate / Acetoxyvaltrate
CAS RN 25161-41-5
Standard InChI InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1
Standard InChI (Main Layer) InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3

Cluster

Phytochemical cluster No. 36
KCF-S cluster No. 433

Link

ChEMBL

By standard InChI CHEMBL563350
By standard InChI Main Layer CHEMBL563350

KEGG

By LinkDB C16752

CTD

By CAS RN C090810