KNApSAcK Metabolite C00006770
Metabolite
KNApSAcK Entry
| id | C00006770 |
|---|---|
| Name | Pelargonidin 3,5-di-(6-acetylglucoside) |
| CAS RN | 161992-99-0 |
| Standard InChI | InChI=1S/C31H34O17/c1-12(32)42-10-21-23(36)25(38)27(40)30(47-21)45-19-8-16(35)7-18-17(19)9-20(29(44-18)14-3-5-15(34)6-4-14)46-31-28(41)26(39)24(37)22(48-31)11-43-13(2)33/h3-9,21-28,30-31,36-41H,10-11H2,1-2H3,(H-,34,35)/p+1/t21?,22?,23-,24-,25+,26?,27?,28?,30-,31-/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C31H34O17/c1-12(32)42-10-21-23(36)25(38)27(40)30(47-21)45-19-8-16(35)7-18-17(19)9-20(29(44-18)14-3-5-15(34)6-4-14)46-31-28(41)26(39)24(37)22(48-31)11-43-13(2)33/h3-9,21-28,30-31,36-41H,10-11H2,1-2H3,(H-,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 |
|---|
CTD
| By CAS RN |
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Species
Summary
Plant class
| class name | count |
|---|---|
| asterids | 1 |
Family
| family name | count |
|---|---|
| Verbenaceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Verbena x hybrida | 76714 | Verbenaceae | asterids | Viridiplantae |