KNApSAcK Metabolite C00003706
Metabolite
KNApSAcK Entry
| id | C00003706 |
|---|---|
| Name | Chaparrin |
| CAS RN | 4616-50-6 |
| Standard InChI | InChI=1S/C20H28O7/c1-8-4-12(21)16(24)18(3)10(8)5-13-19-7-26-20(25,17(18)19)15(23)9(2)11(19)6-14(22)27-13/h4,9-13,15-17,21,23-25H,5-7H2,1-3H3/t9-,10+,11+,12+,13-,15-,16-,17-,18-,19-,20+/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C20H28O7/c1-8-4-12(21)16(24)18(3)10(8)5-13-19-7-26-20(25,17(18)19)15(23)9(2)11(19)6-14(22)27-13/h4,9-13,15-17,21,23-25H,5-7H2,1-3H3 |
Cluster
| Phytochemical cluster | No. 51 |
|---|---|
| KCF-S cluster | No. 432 |
Link
ChEMBL
| By standard InChI | CHEMBL470984 |
|---|---|
| By standard InChI Main Layer | CHEMBL470984 |
KEGG
| By LinkDB | C08756 |
|---|
CTD
| By CAS RN | C052512 |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| rosids | 1 |
Family
| family name | count |
|---|---|
| Simaroubaceae | 1 |
List (2)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Castela nicholsonii | 459115 | Simaroubaceae | rosids | Viridiplantae |
| Simba cedron |