KNApSAcK Metabolite C00037588
Metabolite
KNApSAcK Entry
| id | C00037588 |
|---|---|
| Name | Orthosphenic acid |
| CAS RN | 86632-20-4 |
| Standard InChI | InChI=1S/C30H48O5/c1-18-29-8-7-19-26(4,20(29)15-22(31)30(18,34)35-17-29)12-14-28(6)21-16-25(3,23(32)33)10-9-24(21,2)11-13-27(19,28)5/h18-22,31,34H,7-17H2,1-6H3,(H,32,33)/t18-,19+,20+,21-,22-,24-,25-,26-,27-,28+,29+,30-/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C30H48O5/c1-18-29-8-7-19-26(4,20(29)15-22(31)30(18,34)35-17-29)12-14-28(6)21-16-25(3,23(32)33)10-9-24(21,2)11-13-27(19,28)5/h18-22,31,34H,7-17H2,1-6H3,(H,32,33) |
Cluster
| Phytochemical cluster | No. 52 |
|---|---|
| KCF-S cluster | No. 101 |
Link
ChEMBL
| By standard InChI | CHEMBL515079 |
|---|---|
| By standard InChI Main Layer | CHEMBL515079 CHEMBL486470 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN | C064307 |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| rosids | 2 |
Family
| family name | count |
|---|---|
| Celastraceae | 2 |
List (2)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Orthosphenia mexicana Standley. | 123437 | Celastraceae | rosids | Viridiplantae |
| Tripterygium wilfordii Hook f. | 123484 | Celastraceae | rosids | Viridiplantae |