KNApSAcK Metabolite C00022598
Metabolite
KNApSAcK Entry
| id | C00022598 |
|---|---|
| Name | 3beta-Malonyloxy-15-acetoxy-ent-labda-7,13E-dien methylester |
| CAS RN | 113476-70-3 |
| Standard InChI | InChI=1S/C25H38O6/c1-16(12-14-30-18(3)26)7-9-19-17(2)8-10-20-24(4,5)21(11-13-25(19,20)6)31-23(29)15-22(27)28/h8,12,19-21H,7,9-11,13-15H2,1-6H3,(H,27,28)/b16-12+/t19-,20-,21+,25+/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C25H38O6/c1-16(12-14-30-18(3)26)7-9-19-17(2)8-10-20-24(4,5)21(11-13-25(19,20)6)31-23(29)15-22(27)28/h8,12,19-21H,7,9-11,13-15H2,1-6H3,(H,27,28) |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 318 |
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 |
|---|---|
| asterids | 1 |
Family
| family name | count |
|---|---|
| Asteraceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Corymbium villosum | 320625 | Asteraceae | asterids | Viridiplantae |