PCIDB

KNApSAcK Metabolite C00034339

Metabolite

KNApSAcK Entry

id C00034339
Name Withanone
CAS RN 27570-38-3
Standard InChI InChI=1S/C28H38O6/c1-14-13-19(33-24(30)15(14)2)16(3)27(31)12-9-17-21-18(8-11-25(17,27)4)26(5)20(29)7-6-10-28(26,32)23-22(21)34-23/h6-7,16-19,21-23,31-32H,8-13H2,1-5H3/t16-,17+,18+,19-,21+,22+,23+,25+,26+,27+,28+/m1/s1
Standard InChI (Main Layer) InChI=1S/C28H38O6/c1-14-13-19(33-24(30)15(14)2)16(3)27(31)12-9-17-21-18(8-11-25(17,27)4)26(5)20(29)7-6-10-28(26,32)23-22(21)34-23/h6-7,16-19,21-23,31-32H,8-13H2,1-5H3

Cluster

Phytochemical cluster No. 58
KCF-S cluster No. 176

Link

ChEMBL

By standard InChI CHEMBL516703
By standard InChI Main Layer CHEMBL516703

KEGG

By LinkDB

CTD

By CAS RN