KNApSAcK Metabolite C00046872
Metabolite
KNApSAcK Entry
| id | C00046872 |
|---|---|
| Name | Quadrangularic acid J / (+)-Quadrangularic acid J |
| CAS RN | 254757-94-3 |
| Standard InChI | InChI=1S/C31H50O5/c1-19(9-8-13-26(2,3)36-7)20-12-14-28(5)21-10-11-22-29(6,25(34)35)23(32)17-24(33)31(22)18-30(21,31)16-15-27(20,28)4/h8,13,19-24,32-33H,9-12,14-18H2,1-7H3,(H,34,35)/b13-8+/t19-,20-,21+,22+,23+,24+,27-,28+,29+,30+,31-/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C31H50O5/c1-19(9-8-13-26(2,3)36-7)20-12-14-28(5)21-10-11-22-29(6,25(34)35)23(32)17-24(33)31(22)18-30(21,31)16-15-27(20,28)4/h8,13,19-24,32-33H,9-12,14-18H2,1-7H3,(H,34,35) |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 415 |
Link
ChEMBL
| By standard InChI | CHEMBL472834 |
|---|---|
| By standard InChI Main Layer | CHEMBL472834 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| rosids | 1 |
Family
| family name | count |
|---|---|
| Combretaceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Combretum quadrangulare | 99434 | Combretaceae | rosids | Viridiplantae |