KNApSAcK Metabolite C00041961
Metabolite
KNApSAcK Entry
| id | C00041961 |
|---|---|
| Name | Umbellacin I / (-)-Umbellacin I |
| CAS RN | 871483-43-1 |
| Standard InChI | InChI=1S/C23H38O8/c1-14(24)31-12-15(6-7-17(25)21(2,3)28)16-8-10-22(4)13-23(29,11-9-18(22)26)19(16)20(27)30-5/h6,16-19,25-26,28-29H,7-13H2,1-5H3/b15-6-/t16-,17?,18+,19+,22+,23-/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C23H38O8/c1-14(24)31-12-15(6-7-17(25)21(2,3)28)16-8-10-22(4)13-23(29,11-9-18(22)26)19(16)20(27)30-5/h6,16-19,25-26,28-29H,7-13H2,1-5H3 |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 3015 |
Link
ChEMBL
| By standard InChI | |
|---|---|
| By standard InChI Main Layer | CHEMBL479878 |
KEGG
| By LinkDB |
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CTD
| By CAS RN |
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