KNApSAcK Metabolite C00040618
Metabolite
KNApSAcK Entry
| id | C00040618 |
|---|---|
| Name | Valtrate hydrine B3 |
| CAS RN | 58523-23-2 |
| Standard InChI | InChI=1S/C27H40O11/c1-15(2)8-21(29)36-14-27(33)20(37-22(30)9-16(3)4)10-19-18(12-34-17(5)28)13-35-25(24(19)27)38-23(31)11-26(6,7)32/h10,13,15-16,20,24-25,32-33H,8-9,11-12,14H2,1-7H3/t20-,24+,25-,27+/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C27H40O11/c1-15(2)8-21(29)36-14-27(33)20(37-22(30)9-16(3)4)10-19-18(12-34-17(5)28)13-35-25(24(19)27)38-23(31)11-26(6,7)32/h10,13,15-16,20,24-25,32-33H,8-9,11-12,14H2,1-7H3 |
Cluster
| Phytochemical cluster | No. 36 |
|---|---|
| KCF-S cluster | No. 433 |
Link
ChEMBL
| By standard InChI | CHEMBL401206 |
|---|---|
| By standard InChI Main Layer | CHEMBL401206 |
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 sorbifolia | 183954 | Caprifoliaceae | asterids | Viridiplantae |