KNApSAcK Metabolite C00008898
Metabolite
KNApSAcK Entry
| id | C00008898 |
|---|---|
| Name | Catechin 3-O-(1-hydroxy-6-oxo-2-cyclohexene-1-carboxylate) |
| CAS RN | 99257-76-8 |
| Standard InChI | InChI=1S/C22H20O9/c23-12-8-15(25)13-10-18(31-21(28)22(29)6-2-1-3-19(22)27)20(30-17(13)9-12)11-4-5-14(24)16(26)7-11/h2,4-9,18,20,23-26,29H,1,3,10H2/t18-,20+,22?/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C22H20O9/c23-12-8-15(25)13-10-18(31-21(28)22(29)6-2-1-3-19(22)27)20(30-17(13)9-12)11-4-5-14(24)16(26)7-11/h2,4-9,18,20,23-26,29H,1,3,10H2 |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 5128 |
Link
ChEMBL
| By standard InChI | |
|---|---|
| By standard InChI Main Layer |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN |
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Species
Summary
Plant class
| class name | count |
|---|---|
| rosids | 1 |
Family
| family name | count |
|---|---|
| Salicaceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Salix sieboldiana | 40685 | Salicaceae | rosids | Viridiplantae |