KNApSAcK Metabolite C00004212
Metabolite
KNApSAcK Entry
| id | C00004212 |
|---|---|
| Name | Acacetin 7-[3'''-(2-methylbutyryl)rutinoside] |
| CAS RN | 63947-69-3 |
| Standard InChI | InChI=1S/C33H40O15/c1-5-14(2)31(41)48-30-25(36)15(3)44-32(29(30)40)43-13-23-26(37)27(38)28(39)33(47-23)45-18-10-19(34)24-20(35)12-21(46-22(24)11-18)16-6-8-17(42-4)9-7-16/h6-12,14-15,23,25-30,32-34,36-40H,5,13H2,1-4H3/t14?,15-,23?,25-,26+,27-,28?,29?,30?,32+,33+/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C33H40O15/c1-5-14(2)31(41)48-30-25(36)15(3)44-32(29(30)40)43-13-23-26(37)27(38)28(39)33(47-23)45-18-10-19(34)24-20(35)12-21(46-22(24)11-18)16-6-8-17(42-4)9-7-16/h6-12,14-15,23,25-30,32-34,36-40H,5,13H2,1-4H3 |
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 |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| asterids | 1 |
Family
| family name | count |
|---|---|
| Caprifoliaceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Valeriana wallichii | 19952 | Caprifoliaceae | asterids | Viridiplantae |