KNApSAcK Metabolite C00046822
Metabolite
KNApSAcK Entry
| id | C00046822 |
|---|---|
| Name | Methyl quadrangularate I / (+)-Methyl quadrangularate I |
| CAS RN | 254754-48-8 |
| Standard InChI | InChI=1S/C31H50O6/c1-18(2)21(33)8-7-19(16-32)20-11-12-28(4)22-9-10-23-29(5,26(36)37-6)24(34)15-25(35)31(23)17-30(22,31)14-13-27(20,28)3/h19-25,32-35H,1,7-17H2,2-6H3/t19-,20+,21-,22-,23-,24-,25-,27+,28-,29-,30-,31+/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C31H50O6/c1-18(2)21(33)8-7-19(16-32)20-11-12-28(4)22-9-10-23-29(5,26(36)37-6)24(34)15-25(35)31(23)17-30(22,31)14-13-27(20,28)3/h19-25,32-35H,1,7-17H2,2-6H3 |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 415 |
Link
ChEMBL
| By standard InChI | CHEMBL475877 |
|---|---|
| By standard InChI Main Layer | CHEMBL475877 |
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 |