KNApSAcK Metabolite C00045069
Metabolite
KNApSAcK Entry
| id | C00045069 |
|---|---|
| Name | Secalonic acid A |
| CAS RN | 35287-72-0 |
| Standard InChI | InChI=1S/C32H30O14/c1-11-9-15(33)21-25(37)19-17(45-31(21,27(11)39)29(41)43-3)7-5-13(23(19)35)14-6-8-18-20(24(14)36)26(38)22-16(34)10-12(2)28(40)32(22,46-18)30(42)44-4/h5-8,11-12,27-28,33-36,39-40H,9-10H2,1-4H3/t11-,12-,27+,28+,31+,32+/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C32H30O14/c1-11-9-15(33)21-25(37)19-17(45-31(21,27(11)39)29(41)43-3)7-5-13(23(19)35)14-6-8-18-20(24(14)36)26(38)22-16(34)10-12(2)28(40)32(22,46-18)30(42)44-4/h5-8,11-12,27-28,33-36,39-40H,9-10H2,1-4H3 |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 648 |
Link
ChEMBL
| By standard InChI | CHEMBL500027 |
|---|---|
| By standard InChI Main Layer | CHEMBL500027 CHEMBL1075999 CHEMBL1973557 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| eudicotyledons | 1 |
Family
| family name | count |
|---|---|
| Polygonaceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Ruprechtia tangarana | 249115 | Polygonaceae | eudicotyledons | Viridiplantae |