KNApSAcK Metabolite C00042110
Metabolite
KNApSAcK Entry
| id | C00042110 |
|---|---|
| Name | 3,5-Di-O-caffeoyl-4-O-coumaroylquinic acid / (-)-3,5-Di-O-caffeoyl-4-O-coumaroylquinic acid |
| CAS RN | 854049-02-8 |
| Standard InChI | InChI=1S/C34H30O14/c35-22-8-1-19(2-9-22)5-12-31(42)48-32-27(46-29(40)13-6-20-3-10-23(36)25(38)15-20)17-34(45,33(43)44)18-28(32)47-30(41)14-7-21-4-11-24(37)26(39)16-21/h1-16,27-28,32,35-39,45H,17-18H2,(H,43,44)/b12-5+,13-6+,14-7+/t27-,28-,32-,34+/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C34H30O14/c35-22-8-1-19(2-9-22)5-12-31(42)48-32-27(46-29(40)13-6-20-3-10-23(36)25(38)15-20)17-34(45,33(43)44)18-28(32)47-30(41)14-7-21-4-11-24(37)26(39)16-21/h1-16,27-28,32,35-39,45H,17-18H2,(H,43,44) |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 2423 |
Link
ChEMBL
| By standard InChI | CHEMBL457619 |
|---|---|
| By standard InChI Main Layer | CHEMBL457619 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN |
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Species
Summary
Plant class
| class name | count |
|---|---|
| asterids | 1 |
Family
| family name | count |
|---|---|
| Convolvulaceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Ipomoea pescarae | 4119 | Convolvulaceae | asterids | Viridiplantae |