KNApSAcK Metabolite C00010692
Metabolite
KNApSAcK Entry
| id | C00010692 |
|---|---|
| Name | 6-O-Acetylshanzhiside methyl ester |
| CAS RN | 110186-13-5 |
| Standard InChI | InChI=1S/C19H28O12/c1-7(21)29-9-4-19(2,26)12-11(9)8(16(25)27-3)6-28-17(12)31-18-15(24)14(23)13(22)10(5-20)30-18/h6,9-15,17-18,20,22-24,26H,4-5H2,1-3H3/t9-,10?,11+,12-,13-,14?,15+,17+,18-,19+/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C19H28O12/c1-7(21)29-9-4-19(2,26)12-11(9)8(16(25)27-3)6-28-17(12)31-18-15(24)14(23)13(22)10(5-20)30-18/h6,9-15,17-18,20,22-24,26H,4-5H2,1-3H3 |
Cluster
| Phytochemical cluster | No. 36 |
|---|---|
| KCF-S cluster | No. 56 |
Link
ChEMBL
| By standard InChI | |
|---|---|
| By standard InChI Main Layer | CHEMBL2048640 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN |
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Species
Summary
Plant class
| class name | count |
|---|---|
| asterids | 1 |
Family
| family name | count |
|---|---|
| Acanthaceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Barleria lupulina | 101743 | Acanthaceae | asterids | Viridiplantae |