KNApSAcK Metabolite C00035510
Metabolite
KNApSAcK Entry
| id | C00035510 |
|---|---|
| Name | 6-O-(3,4,5-trimethoxybenzoyl)-ajugol |
| CAS RN | 761446-84-8 |
| Standard InChI | InChI=1S/C25H34O13/c1-25(31)9-15(36-22(30)11-7-13(32-2)21(34-4)14(8-11)33-3)12-5-6-35-23(17(12)25)38-24-20(29)19(28)18(27)16(10-26)37-24/h5-8,12,15-20,23-24,26-29,31H,9-10H2,1-4H3/t12-,15+,16+,17+,18+,19-,20+,23-,24-,25-/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C25H34O13/c1-25(31)9-15(36-22(30)11-7-13(32-2)21(34-4)14(8-11)33-3)12-5-6-35-23(17(12)25)38-24-20(29)19(28)18(27)16(10-26)37-24/h5-8,12,15-20,23-24,26-29,31H,9-10H2,1-4H3 |
Cluster
| Phytochemical cluster | No. 36 |
|---|---|
| KCF-S cluster | No. 287 |
Link
ChEMBL
| By standard InChI | |
|---|---|
| By standard InChI Main Layer |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| asterids | 1 |
Family
| family name | count |
|---|---|
| Bignoniaceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Tabebuia impetiginosa | 429701 | Bignoniaceae | asterids | Viridiplantae |