KNApSAcK Metabolite C00012647
Metabolite
KNApSAcK Entry
| id | C00012647 |
|---|---|
| Name | [4beta(Z)]-12,13-epoxytrichothec-9-en-4-ol 2-butenoate |
| CAS RN | 117831-27-3 |
| Standard InChI | InChI=1S/C19H26O4/c1-5-6-16(20)23-14-10-15-19(11-21-19)18(14,4)17(3)8-7-12(2)9-13(17)22-15/h5-6,9,13-15H,7-8,10-11H2,1-4H3/b6-5-/t13-,14-,15-,17+,18?,19?/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C19H26O4/c1-5-6-16(20)23-14-10-15-19(11-21-19)18(14,4)17(3)8-7-12(2)9-13(17)22-15/h5-6,9,13-15H,7-8,10-11H2,1-4H3 |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 4118 |
Link
ChEMBL
| By standard InChI | |
|---|---|
| By standard InChI Main Layer | CHEMBL2047176 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN |
|---|
Species
Summary
Plant class
| class name | count |
|---|
Family
| family name | count |
|---|
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Trichothecium roseum | 47278 | Fungi |