KNApSAcK Metabolite C00005412
Metabolite
KNApSAcK Entry
| id | C00005412 |
|---|---|
| Name | Quercetin 3-neohesperidoside / Quercetin 3-O-neohesperidoside |
| CAS RN | 32453-36-4 |
| Standard InChI | InChI=1S/C27H30O16/c1-8-17(33)20(36)22(38)26(39-8)43-25-21(37)18(34)15(7-28)41-27(25)42-24-19(35)16-13(32)5-10(29)6-14(16)40-23(24)9-2-3-11(30)12(31)4-9/h2-6,8,15,17-18,20-22,25-34,36-38H,7H2,1H3/t8?,15?,17-,18+,20?,21?,22-,25?,26-,27-/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C27H30O16/c1-8-17(33)20(36)22(38)26(39-8)43-25-21(37)18(34)15(7-28)41-27(25)42-24-19(35)16-13(32)5-10(29)6-14(16)40-23(24)9-2-3-11(30)12(31)4-9/h2-6,8,15,17-18,20-22,25-34,36-38H,7H2,1H3 |
Cluster
| Phytochemical cluster | No. 15 |
|---|---|
| KCF-S cluster | No. 1 |
Link
ChEMBL
| By standard InChI | |
|---|---|
| By standard InChI Main Layer | CHEMBL499824 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| rosids | 6 |
| asterids | 3 |
| Liliopsida | 3 |
Family
| family name | count |
|---|---|
| Fabaceae | 3 |
| Brassicaceae | 2 |
| Solanaceae | 1 |
| Asteraceae | 1 |
| Primulaceae | 1 |
| Typhaceae | 1 |
| Poaceae | 1 |
| Rosaceae | 1 |
| Costaceae | 1 |