KNApSAcK Metabolite C00006763
Metabolite
KNApSAcK Entry
| id | C00006763 |
|---|---|
| Name | Pelargonidin 3-(6''-malonylglucoside)-5-glucoside |
| CAS RN | 98064-03-0 |
| Standard InChI | InChI=1S/C30H32O18/c31-9-18-22(37)24(39)26(41)29(47-18)45-16-6-13(33)5-15-14(16)7-17(28(44-15)11-1-3-12(32)4-2-11)46-30-27(42)25(40)23(38)19(48-30)10-43-21(36)8-20(34)35/h1-7,18-19,22-27,29-31,37-42H,8-10H2,(H2-,32,33,34,35)/p+1/t18?,19?,22-,23-,24+,25?,26?,27?,29-,30-/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C30H32O18/c31-9-18-22(37)24(39)26(41)29(47-18)45-16-6-13(33)5-15-14(16)7-17(28(44-15)11-1-3-12(32)4-2-11)46-30-27(42)25(40)23(38)19(48-30)10-43-21(36)8-20(34)35/h1-7,18-19,22-27,29-31,37-42H,8-10H2,(H2-,32,33,34,35) |
Cluster
| Phytochemical cluster | No. 15 |
|---|---|
| KCF-S cluster | No. 1 |
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 |
|---|---|---|---|---|
| Dahlia variabilis | 101596 | Asteraceae | asterids | Viridiplantae |