KNApSAcK Metabolite C00020727
Metabolite
KNApSAcK Entry
| id | C00020727 |
|---|---|
| Name | Brachynereolide |
| CAS RN | 112356-28-2 |
| Standard InChI | InChI=1S/C21H30O8/c1-9-4-5-12-14(9)18-11(10(2)19(26)28-18)6-7-21(12,3)29-20-17(25)16(24)15(23)13(8-22)27-20/h11-18,20,22-25H,1-2,4-8H2,3H3/t11?,12?,13?,14?,15-,16+,17?,18?,20+,21?/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C21H30O8/c1-9-4-5-12-14(9)18-11(10(2)19(26)28-18)6-7-21(12,3)29-20-17(25)16(24)15(23)13(8-22)27-20/h11-18,20,22-25H,1-2,4-8H2,3H3 |
Cluster
| Phytochemical cluster | No. 38 |
|---|---|
| KCF-S cluster | No. 259 |
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 |
|---|---|---|---|---|
| Brachylaena neriifolia | 379209 | Asteraceae | asterids | Viridiplantae |