KNApSAcK Metabolite C00000643
Metabolite
KNApSAcK Entry
| id | C00000643 |
|---|---|
| Name | Kobusin / (+)-Kobusin / (+)-Spinescin / Methylpiperitol |
| CAS RN | 36150-23-9 |
| Standard InChI | InChI=1S/C21H22O6/c1-22-16-5-3-12(7-18(16)23-2)20-14-9-25-21(15(14)10-24-20)13-4-6-17-19(8-13)27-11-26-17/h3-8,14-15,20-21H,9-11H2,1-2H3/t14-,15-,20+,21+/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C21H22O6/c1-22-16-5-3-12(7-18(16)23-2)20-14-9-25-21(15(14)10-24-20)13-4-6-17-19(8-13)27-11-26-17/h3-8,14-15,20-21H,9-11H2,1-2H3 |
Cluster
| Phytochemical cluster | No. 21 |
|---|---|
| KCF-S cluster | No. 38 |
Link
ChEMBL
| By standard InChI | CHEMBL462822 |
|---|---|
| By standard InChI Main Layer | CHEMBL462822 |
KEGG
| By LinkDB | C17844 |
|---|
CTD
| By CAS RN |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| Magnoliophyta | 7 |
| rosids | 5 |
| asterids | 3 |
| Liliopsida | 1 |
Family
| family name | count |
|---|---|
| Magnoliaceae | 5 |
| Rutaceae | 4 |
| Scrophulariaceae | 2 |
| Lauraceae | 1 |
| Asteraceae | 1 |
| Polygalaceae | 1 |
| Myristicaceae | 1 |
| Pandanaceae | 1 |