KNApSAcK Metabolite C00047935
Metabolite
KNApSAcK Entry
| id | C00047935 |
|---|---|
| Name | IVHD-valtrate / Isovaleroxyhydroxydihydrovaltrate |
| CAS RN | 28325-56-6 |
| Standard InChI | InChI=1S/C27H40O11/c1-14(2)8-20(29)37-22(16(5)6)24(31)33-11-18-12-34-25(38-21(30)9-15(3)4)23-26(18,32)10-19(36-17(7)28)27(23)13-35-27/h12,14-16,19,22-23,25,32H,8-11,13H2,1-7H3/t19-,22?,23-,25-,26-,27+/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C27H40O11/c1-14(2)8-20(29)37-22(16(5)6)24(31)33-11-18-12-34-25(38-21(30)9-15(3)4)23-26(18,32)10-19(36-17(7)28)27(23)13-35-27/h12,14-16,19,22-23,25,32H,8-11,13H2,1-7H3 |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 483 |
Link
ChEMBL
| By standard InChI | CHEMBL556679 |
|---|---|
| By standard InChI Main Layer | CHEMBL556679 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| asterids | 1 |
Family
| family name | count |
|---|---|
| Caprifoliaceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Valeriana officinalis | 19953 | Caprifoliaceae | asterids | Viridiplantae |