KNApSAcK Metabolite C00026158
Metabolite
KNApSAcK Entry
| id | C00026158 |
|---|---|
| Name | Acetylheliosupine / 3'-Acetylheliosupine / Acetylcynoglossophine / Heliosupine 3'-acetate / Cynoglossophine acetate |
| CAS RN | 31514-30-4 |
| Standard InChI | InChI=1S/C22H33NO8/c1-7-13(2)19(25)31-17-9-11-23-10-8-16(18(17)23)12-29-20(26)22(28,21(5,6)27)14(3)30-15(4)24/h7-8,14,17-18,27-28H,9-12H2,1-6H3/b13-7-/t14-,17-,18+,22+/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C22H33NO8/c1-7-13(2)19(25)31-17-9-11-23-10-8-16(18(17)23)12-29-20(26)22(28,21(5,6)27)14(3)30-15(4)24/h7-8,14,17-18,27-28H,9-12H2,1-6H3 |
Cluster
| Phytochemical cluster | No. 2 |
|---|---|
| KCF-S cluster | No. 623 |
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 |
|---|---|
| Boraginaceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Cynoglossum officinale | 181189 | Boraginaceae | asterids | Viridiplantae |