PCIDB

KNApSAcK Metabolite C00029217

Metabolite

KNApSAcK Entry

id C00029217
Name Verticinone
CAS RN 18059-10-4
Standard InChI InChI=1S/C27H43NO3/c1-15-4-7-25-27(3,31)21-6-5-17-18(20(21)14-28(25)13-15)11-22-19(17)12-24(30)23-10-16(29)8-9-26(22,23)2/h15-23,25,29,31H,4-14H2,1-3H3/t15-,16-,17+,18+,19-,20-,21-,22-,23+,25-,26+,27-/m0/s1
Standard InChI (Main Layer) InChI=1S/C27H43NO3/c1-15-4-7-25-27(3,31)21-6-5-17-18(20(21)14-28(25)13-15)11-22-19(17)12-24(30)23-10-16(29)8-9-26(22,23)2/h15-23,25,29,31H,4-14H2,1-3H3

Cluster

Phytochemical cluster No. 11
KCF-S cluster No. 95

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL1623724

KEGG

By LinkDB C10808

CTD

By CAS RN C047331