Metabolite

KNApSAcK Entry

id C00012795
Name [1R-(1alpha,2beta,4abeta,5beta,6beta,8aalpha)]-Decahydro-8a-methyl-4-methylene-6-(1-methylethyl)-1,2,5-naphthalenetriol 1,2-diacetate 5-benzoate
CAS RN 73809-94-6
Standard InChI InChI=1S/C26H34O6/c1-15(2)20-12-13-26(6)22(23(20)32-25(29)19-10-8-7-9-11-19)16(3)14-21(30-17(4)27)24(26)31-18(5)28/h7-11,15,20-24H,3,12-14H2,1-2,4-6H3/t20?,21?,22?,23?,24?,26-/m0/s1
Standard InChI (Main Layer) InChI=1S/C26H34O6/c1-15(2)20-12-13-26(6)22(23(20)32-25(29)19-10-8-7-9-11-19)16(3)14-21(30-17(4)27)24(26)31-18(5)28/h7-11,15,20-24H,3,12-14H2,1-2,4-6H3

Cluster

Phytochemical cluster
KCF-S cluster No. 3066

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
Iva annua 1306930 Asteraceae asterids Viridiplantae