KNApSAcK Metabolite C00005968
Metabolite
KNApSAcK Entry
| id | C00005968 |
|---|---|
| Name | Quercetin 3-(2''-caffeylglucuronide) |
| CAS RN | 152269-97-1 |
| Standard InChI | InChI=1S/C30H24O16/c31-13-9-18(36)21-19(10-13)43-25(12-3-5-15(33)17(35)8-12)26(22(21)38)45-30-28(24(40)23(39)27(46-30)29(41)42)44-20(37)6-2-11-1-4-14(32)16(34)7-11/h1-10,23-24,27-28,30-36,39-40H,(H,41,42)/b6-2+/t23-,24?,27?,28+,30+/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C30H24O16/c31-13-9-18(36)21-19(10-13)43-25(12-3-5-15(33)17(35)8-12)26(22(21)38)45-30-28(24(40)23(39)27(46-30)29(41)42)44-20(37)6-2-11-1-4-14(32)16(34)7-11/h1-10,23-24,27-28,30-36,39-40H,(H,41,42) |
Cluster
| Phytochemical cluster | No. 15 |
|---|---|
| KCF-S cluster | No. 30 |
Link
ChEMBL
| By standard InChI | |
|---|---|
| By standard InChI Main Layer |
KEGG
| By LinkDB |
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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 |
|---|---|---|---|---|
| Scolymus hispanicus | 114287 | Asteraceae | asterids | Viridiplantae |