KNApSAcK Metabolite C00006299
Metabolite
KNApSAcK Entry
| id | C00006299 |
|---|---|
| Name | 2''-trans-Caffeoylisoorientin / Isoorientin 2''-O-(E)-caffeate |
| CAS RN | 57186-26-2 |
| Standard InChI | InChI=1S/C30H26O14/c31-11-22-26(39)28(41)30(44-23(38)6-2-12-1-4-14(32)16(34)7-12)29(43-22)25-19(37)10-21-24(27(25)40)18(36)9-20(42-21)13-3-5-15(33)17(35)8-13/h1-10,22,26,28-35,37,39-41H,11H2/b6-2+/t22?,26-,28+,29+,30?/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C30H26O14/c31-11-22-26(39)28(41)30(44-23(38)6-2-12-1-4-14(32)16(34)7-12)29(43-22)25-19(37)10-21-24(27(25)40)18(36)9-20(42-21)13-3-5-15(33)17(35)8-13/h1-10,22,26,28-35,37,39-41H,11H2 |
Cluster
| Phytochemical cluster | No. 15 |
|---|---|
| KCF-S cluster | No. 30 |
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 |
|---|---|
| Gentianaceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Gentiana burseri | 38850 | Gentianaceae | asterids | Viridiplantae |