KNApSAcK Metabolite C00045030
Metabolite
KNApSAcK Entry
| id | C00045030 |
|---|---|
| Name | Prunasin 3',6'-di-O-gallate / (-)-Prunasin 3',6'-di-O-gallate |
| CAS RN | 404835-29-6 |
| Standard InChI | InChI=1S/C28H25NO14/c29-10-19(12-4-2-1-3-5-12)41-28-24(37)25(43-27(39)14-8-17(32)22(35)18(33)9-14)23(36)20(42-28)11-40-26(38)13-6-15(30)21(34)16(31)7-13/h1-9,19-20,23-25,28,30-37H,11H2/t19-,20+,23+,24+,25-,28+/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C28H25NO14/c29-10-19(12-4-2-1-3-5-12)41-28-24(37)25(43-27(39)14-8-17(32)22(35)18(33)9-14)23(36)20(42-28)11-40-26(38)13-6-15(30)21(34)16(31)7-13/h1-9,19-20,23-25,28,30-37H,11H2 |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 2122 |
Link
ChEMBL
| By standard InChI | |
|---|---|
| By standard InChI Main Layer |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| rosids | 1 |
Family
| family name | count |
|---|---|
| Melastomataceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Phyllagathis rotundifolia | 119945 | Melastomataceae | rosids | Viridiplantae |