KNApSAcK Metabolite C00026225
Metabolite
KNApSAcK Entry
| id | C00026225 |
|---|---|
| Name | Rosmarinine-2-acetate / 2-O-Acetylrosmarinine |
| CAS RN | 137760-53-3 |
| Standard InChI | InChI=1S/C20H29NO7/c1-5-13-8-11(2)20(4,25)19(24)26-10-14-16(27-12(3)22)9-21-7-6-15(17(14)21)28-18(13)23/h5,11,14-17,25H,6-10H2,1-4H3/b13-5-/t11-,14+,15-,16-,17-,20-/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C20H29NO7/c1-5-13-8-11(2)20(4,25)19(24)26-10-14-16(27-12(3)22)9-21-7-6-15(17(14)21)28-18(13)23/h5,11,14-17,25H,6-10H2,1-4H3 |
Cluster
| Phytochemical cluster | No. 2 |
|---|---|
| KCF-S cluster | No. 1044 |
Link
ChEMBL
| By standard InChI | |
|---|---|
| By standard InChI Main Layer |
KEGG
| By LinkDB |
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CTD
| By CAS RN |
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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 |
|---|---|---|---|---|
| Senecio linifolius | 462542 | Asteraceae | asterids | Viridiplantae |