KNApSAcK Metabolite C00042739
Metabolite
KNApSAcK Entry
| id | C00042739 |
|---|---|
| Name | Methyl-4-O-caffeoylquinate / (+)-Methyl-4-O-caffeoylquinate |
| CAS RN | 123372-74-7 |
| Standard InChI | InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(13(21)8-17)26-14(22)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-21,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(13(21)8-17)26-14(22)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-21,24H,7-8H2,1H3 |
Cluster
| Phytochemical cluster | No. 6 |
|---|---|
| KCF-S cluster | No. 314 |
Link
ChEMBL
| By standard InChI | CHEMBL2349426 |
|---|---|
| By standard InChI Main Layer | CHEMBL2349426 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN |
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Species
Summary
Plant class
| class name | count |
|---|---|
| Euphyllophyta | 1 |
Family
| family name | count |
|---|---|
| Pteridaceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Vittaria anguste-elongata | 38724 | Pteridaceae | Euphyllophyta | Viridiplantae |