KNApSAcK Metabolite C00003101
Metabolite
KNApSAcK Entry
| id | C00003101 |
|---|---|
| Name | Valtrate / Valtratum |
| CAS RN | 18296-44-1 |
| Standard InChI | InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3 |
Cluster
| Phytochemical cluster | No. 36 |
|---|---|
| KCF-S cluster | No. 433 |
Link
ChEMBL
| By standard InChI | CHEMBL402061 |
|---|---|
| By standard InChI Main Layer | CHEMBL402061 |
KEGG
| By LinkDB | C09801 |
|---|
CTD
| By CAS RN | C030127 |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| asterids | 9 |
Family
| family name | count |
|---|---|
| Caprifoliaceae | 9 |