KNApSAcK Metabolite C00042125
Metabolite
KNApSAcK Entry
| id | C00042125 |
|---|---|
| Name | 3-epi-Heliangin / (-)-3-epi-Heliangin |
| CAS RN | 857502-89-7 |
| Standard InChI | InChI=1S/C20H26O6/c1-6-10(2)18(22)25-15-9-20(5)16(26-20)8-13(21)11(3)7-14-17(15)12(4)19(23)24-14/h6-7,13-17,21H,4,8-9H2,1-3,5H3/b10-6+,11-7-/t13-,14-,15?,16-,17+,20-/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C20H26O6/c1-6-10(2)18(22)25-15-9-20(5)16(26-20)8-13(21)11(3)7-14-17(15)12(4)19(23)24-14/h6-7,13-17,21H,4,8-9H2,1-3,5H3 |
Cluster
| Phytochemical cluster | No. 38 |
|---|---|
| KCF-S cluster | No. 94 |
Link
ChEMBL
| By standard InChI | |
|---|---|
| By standard InChI Main Layer | CHEMBL483867 CHEMBL517148 CHEMBL463123 |
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 |
|---|---|---|---|---|
| Eupatorium kiirunense | 13516 | Asteraceae | asterids | Viridiplantae |