PCIDB

KNApSAcK Metabolite C00039370

Metabolite

KNApSAcK Entry

id C00039370
Name Hercinolactone
CAS RN 172723-34-1
Standard InChI InChI=1S/C30H46O3/c1-25(2)14-15-27(5)11-8-19-28(6)12-9-18-26(3,4)23-16-22(31)30(18,24(32)33-23)20(28)10-13-29(19,7)21(27)17-25/h8,18,20-21,23-24,32H,9-17H2,1-7H3/t18-,20-,21+,23-,24-,27-,28-,29+,30+/m0/s1
Standard InChI (Main Layer) InChI=1S/C30H46O3/c1-25(2)14-15-27(5)11-8-19-28(6)12-9-18-26(3,4)23-16-22(31)30(18,24(32)33-23)20(28)10-13-29(19,7)21(27)17-25/h8,18,20-21,23-24,32H,9-17H2,1-7H3

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 13

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN