KNApSAcK Metabolite C00029371
Metabolite
KNApSAcK Entry
| id | C00029371 |
|---|---|
| Name | 2-Acetylfuran |
| CAS RN | 1192-62-7 |
| Standard InChI | InChI=1S/C21H18N2O5/c1-3-21(26)15-8-17-18-12(6-11-7-13(27-2)4-5-16(11)22-18)9-23(17)19(24)14(15)10-28-20(21)25/h4-8,26H,3,9-10H2,1-2H3/t21-/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C21H18N2O5/c1-3-21(26)15-8-17-18-12(6-11-7-13(27-2)4-5-16(11)22-18)9-23(17)19(24)14(15)10-28-20(21)25/h4-8,26H,3,9-10H2,1-2H3 |
Cluster
| Phytochemical cluster | No. 7 |
|---|---|
| KCF-S cluster | No. 3696 |
Link
ChEMBL
| By standard InChI | CHEMBL75854 |
|---|---|
| By standard InChI Main Layer | CHEMBL75854 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN | C039669 |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| rosids | 1 |
Family
| family name | count |
|---|---|
| Brassicaceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Brassica hirta | 3728 | Brassicaceae | rosids | Viridiplantae |