KNApSAcK Metabolite C00047365
Metabolite
KNApSAcK Entry
| id | C00047365 |
|---|---|
| Name | 5-Hydroxydidrovaltrate |
| CAS RN | 96889-90-6 |
| Standard InChI | InChI=1S/C22H32O9/c1-12(2)6-17(24)27-9-15-10-28-20(31-18(25)7-13(3)4)19-21(15,26)8-16(30-14(5)23)22(19)11-29-22/h10,12-13,16,19-20,26H,6-9,11H2,1-5H3/t16-,19-,20-,21-,22+/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C22H32O9/c1-12(2)6-17(24)27-9-15-10-28-20(31-18(25)7-13(3)4)19-21(15,26)8-16(30-14(5)23)22(19)11-29-22/h10,12-13,16,19-20,26H,6-9,11H2,1-5H3 |
Cluster
| Phytochemical cluster | No. 36 |
|---|---|
| KCF-S cluster | No. 1308 |
Link
ChEMBL
| By standard InChI | CHEMBL556884 |
|---|---|
| By standard InChI Main Layer | CHEMBL556884 |
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 jatamansi | 59170 | Caprifoliaceae | asterids | Viridiplantae |