KNApSAcK Metabolite C00022639
Metabolite
KNApSAcK Entry
| id | C00022639 |
|---|---|
| Name | 18-Acetoxy-6-oxogrindelic acid |
| CAS RN | 81916-54-3 |
| Standard InChI | InChI=1S/C22H32O6/c1-14-11-16(24)18-19(3,13-27-15(2)23)7-6-8-21(18,5)22(14)10-9-20(4,28-22)12-17(25)26/h11,18H,6-10,12-13H2,1-5H3,(H,25,26)/t18-,19-,20-,21-,22+/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C22H32O6/c1-14-11-16(24)18-19(3,13-27-15(2)23)7-6-8-21(18,5)22(14)10-9-20(4,28-22)12-17(25)26/h11,18H,6-10,12-13H2,1-5H3,(H,25,26) |
Cluster
| Phytochemical cluster | No. 38 |
|---|---|
| KCF-S cluster | No. 252 |
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 |
|---|---|---|---|---|
| Grindelia stricta | 1114762 | Asteraceae | asterids | Viridiplantae |