KNApSAcK Metabolite C00005447
Metabolite
KNApSAcK Entry
| id | C00005447 |
|---|---|
| Name | Quercetin 3-(2R-apiosylrutinoside) / Quercetin 3-apiosyl-(1->2)-rhamnosyl-(1->6)-glucoside / 3-[(O-D-Apio-beta-D-furanosyl-(1->2)-O-6-deoxy-alpha-L-mannopyranosyl-(1->6)-beta-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one |
| CAS RN | 151261-96-0 |
| Standard InChI | InChI=1S/C32H38O20/c1-10-19(38)23(42)27(52-31-28(44)32(45,8-33)9-47-31)30(48-10)46-7-17-20(39)22(41)24(43)29(50-17)51-26-21(40)18-15(37)5-12(34)6-16(18)49-25(26)11-2-3-13(35)14(36)4-11/h2-6,10,17,19-20,22-24,27-31,33-39,41-45H,7-9H2,1H3/t10?,17?,19-,20+,22?,23-,24?,27?,28?,29-,30+,31-,32-/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C32H38O20/c1-10-19(38)23(42)27(52-31-28(44)32(45,8-33)9-47-31)30(48-10)46-7-17-20(39)22(41)24(43)29(50-17)51-26-21(40)18-15(37)5-12(34)6-16(18)49-25(26)11-2-3-13(35)14(36)4-11/h2-6,10,17,19-20,22-24,27-31,33-39,41-45H,7-9H2,1H3 |
Cluster
| Phytochemical cluster | No. 15 |
|---|---|
| KCF-S cluster | No. 5 |
Link
ChEMBL
| By standard InChI | |
|---|---|
| By standard InChI Main Layer |
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 |
|---|---|---|---|---|
| Baccharis thesioides | 41487 | Asteraceae | asterids | Viridiplantae |