KNApSAcK Metabolite C00044045
Metabolite
KNApSAcK Entry
| id | C00044045 |
|---|---|
| Name | 1,3,5-Tri-O-caffeoylquinic acid |
| CAS RN | 86632-03-3 |
| Standard InChI | InChI=1S/C34H30O15/c35-21-7-1-18(13-24(21)38)4-10-29(41)47-27-16-34(46,33(44)45)17-28(48-30(42)11-5-19-2-8-22(36)25(39)14-19)32(27)49-31(43)12-6-20-3-9-23(37)26(40)15-20/h1-15,27-28,32,35-40,46H,16-17H2,(H,44,45)/b10-4+,11-5+,12-6+/t27-,28-,32-,34+/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C34H30O15/c35-21-7-1-18(13-24(21)38)4-10-29(41)47-27-16-34(46,33(44)45)17-28(48-30(42)11-5-19-2-8-22(36)25(39)14-19)32(27)49-31(43)12-6-20-3-9-23(37)26(40)15-20/h1-15,27-28,32,35-40,46H,16-17H2,(H,44,45) |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 2423 |
Link
ChEMBL
| By standard InChI | CHEMBL499997 |
|---|---|
| By standard InChI Main Layer | CHEMBL499997 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN |
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Species
Summary
Plant class
| class name | count |
|---|---|
| asterids | 1 |
Family
| family name | count |
|---|---|
| Asteraceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Xanthium strumarium | 318068 | Asteraceae | asterids | Viridiplantae |