KNApSAcK Metabolite C00012599
Metabolite
KNApSAcK Entry
| id | C00012599 |
|---|---|
| Name | [4beta(2R,3R)]-Trichotheca-9,12-dien-4-ol, 5-(3-methyloxiranyl)-2,4-pentadienoate |
| CAS RN | 85957-00-2 |
| Standard InChI | InChI=1S/C23H30O4/c1-14-10-11-22(4)19(12-14)26-18-13-20(23(22,5)15(18)2)27-21(24)9-7-6-8-17-16(3)25-17/h6-9,12,16-20H,2,10-11,13H2,1,3-5H3 |
| Standard InChI (Main Layer) | InChI=1S/C23H30O4/c1-14-10-11-22(4)19(12-14)26-18-13-20(23(22,5)15(18)2)27-21(24)9-7-6-8-17-16(3)25-17/h6-9,12,16-20H,2,10-11,13H2,1,3-5H3 |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 6648 |
Link
ChEMBL
| By standard InChI | |
|---|---|
| By standard InChI Main Layer |
KEGG
| By LinkDB |
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CTD
| By CAS RN |
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Species
Summary
Plant class
| class name | count |
|---|
Family
| family name | count |
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List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Myrothecium verrucaria | 5532 | Fungi |