Metabolite

KNApSAcK Entry

id C00012977
Name Tirotundifolin D / [3aR-[3aalpha,4beta(Z),5abeta,6beta,9aalpha,9bbeta]]-2,3,3a,4,5,5a,6,7,9a,9b-decahydro-6-hydroxy-5a,9-dimethyl-3-methylene-2-oxonaphtho[1,2-b]furan-4-yl ester 2-(hydroxymethyl)-2-butenoic acid
CAS RN 92356-86-0
Standard InChI InChI=1S/C20H26O6/c1-5-12(9-21)19(24)25-13-8-20(4)14(22)7-6-10(2)16(20)17-15(13)11(3)18(23)26-17/h5-6,13-17,21-22H,3,7-9H2,1-2,4H3/b12-5-/t13-,14-,15-,16-,17+,20+/m1/s1
Standard InChI (Main Layer) InChI=1S/C20H26O6/c1-5-12(9-21)19(24)25-13-8-20(4)14(22)7-6-10(2)16(20)17-15(13)11(3)18(23)26-17/h5-6,13-17,21-22H,3,7-9H2,1-2,4H3

Cluster

Phytochemical cluster No. 38
KCF-S cluster No. 214

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
Tithonia rotundifolia 105388 Asteraceae asterids Viridiplantae