Metabolite

KNApSAcK Entry

id C00012065
Name [1R-[1R*,2S*(Z),4S*,6R*,8R*(Z),9S*,10S*(Z),11R*]]-1,6-Dimethyl-9-(1-methylethenyl)-7-oxo-5,12-dioxatricyclo[9.1.0.04,6]dodecane-2,8,10-triyl ester 2-methyl-2-butenoic acid
CAS RN 64234-03-3
Standard InChI InChI=1S/C30H40O9/c1-11-16(6)26(32)35-19-14-20-29(9,38-20)24(31)22(36-27(33)17(7)12-2)21(15(4)5)23(25-30(19,10)39-25)37-28(34)18(8)13-3/h11-13,19-23,25H,4,14H2,1-3,5-10H3/b16-11-,17-12-,18-13-/t19-,20+,21+,22?,23-,25-,29+,30+/m0/s1
Standard InChI (Main Layer) InChI=1S/C30H40O9/c1-11-16(6)26(32)35-19-14-20-29(9,38-20)24(31)22(36-27(33)17(7)12-2)21(15(4)5)23(25-30(19,10)39-25)37-28(34)18(8)13-3/h11-13,19-23,25H,4,14H2,1-3,5-10H3

Cluster

Phytochemical cluster
KCF-S cluster No. 4810

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
Ligularia spp. 4239 Asteraceae asterids Viridiplantae