Metabolite

KNApSAcK Entry

id C00011594
Name [S-[R*,R*-(E,E)]]-(4,4'-Dihydroxy-2,2'-dimethyl-3,3',6,6'-tetraoxo[bi-1,4-cyclohexadien-1-yl]-5,5'-diyl)bis(2,6-dimethyl-2-hexene-6,1-diyl) ester 3-methyl-butanoic acid
CAS RN 119318-14-8
Standard InChI InChI=1S/C40H54O10/c1-21(2)17-29(41)49-19-23(5)13-11-15-25(7)31-37(45)33(27(9)35(43)39(31)47)34-28(10)36(44)40(48)32(38(34)46)26(8)16-12-14-24(6)20-50-30(42)18-22(3)4/h13-14,21-22,25-26,47-48H,11-12,15-20H2,1-10H3/b23-13+,24-14+/t25-,26-/m0/s1
Standard InChI (Main Layer) InChI=1S/C40H54O10/c1-21(2)17-29(41)49-19-23(5)13-11-15-25(7)31-37(45)33(27(9)35(43)39(31)47)34-28(10)36(44)40(48)32(38(34)46)26(8)16-12-14-24(6)20-50-30(42)18-22(3)4/h13-14,21-22,25-26,47-48H,11-12,15-20H2,1-10H3

Cluster

Phytochemical cluster
KCF-S cluster No. 2919

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 1

Family

family name count
Asteraceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Coreocarpus arizonicus 172209 Asteraceae asterids Viridiplantae