KNApSAcK Metabolite C00045527
Metabolite
KNApSAcK Entry
| id | C00045527 |
|---|---|
| Name | 1-Homoisoacevaltrate / (+)-1-Homoisoacevaltrate |
| CAS RN | 480998-95-6 |
| Standard InChI | InChI=1S/C25H34O10/c1-7-14(4)8-20(28)35-24-21-18(9-19(33-15(5)26)25(21)12-32-25)17(11-31-24)10-30-23(29)22(13(2)3)34-16(6)27/h9,11,13-14,19,21-22,24H,7-8,10,12H2,1-6H3/t14?,19-,21+,22?,24-,25+/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C25H34O10/c1-7-14(4)8-20(28)35-24-21-18(9-19(33-15(5)26)25(21)12-32-25)17(11-31-24)10-30-23(29)22(13(2)3)34-16(6)27/h9,11,13-14,19,21-22,24H,7-8,10,12H2,1-6H3 |
Cluster
| Phytochemical cluster | No. 36 |
|---|---|
| KCF-S cluster | No. 433 |
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 jatamansi | 59170 | Caprifoliaceae | asterids | Viridiplantae |