Chemical structure
Bruceolide
| CID | Molecular formula | Molecular weight | Canonical smiles | Isomeric smiles | Exact mass |
|---|---|---|---|---|---|
| 99531 | C21H26O10 | 438.4 | CC1=C(C(=O)CC2(C1CC3 C45C2C(C(C(C4C(C(=O) O3)O)(OC5)C(=O)OC)O) O)C)O | CC1=C(C(=O)C[C@]2([C@H]1C[C@@H]3[C@]45[C@@H]2[C@H]([C@@H]([C@]([C@@H]4[C@H](C(=O)O3)O)(OC5)C(=O)OC)O)O)C)O | 438.152597 |
SMILES: COC(=O)[C@]12OC[C@@]34[C@H]1[C@@H](O)C(=O)O[C@@H]3C[C@H]1C(C)=C(O)C(=O)C[C@]1(C)[C@H]4[C@@H](O)[C@@H]2O
Synonym
| Synonym |
|---|
| BRUCEOLIDE |
| CHEBI:65529 |
| NSC 238185 |
| CHEMBL140588 |
| YLWQKYSDNGHLAO-PWRINDRCSA-N |
| Methyl (11beta,12alpha,15beta)-13,20-epoxy-3,11,12,15-tetrahydroxy-2,16-dioxopicras-3-en-21-oate |
| Picras-3-en-21-oic acid, 13,20-epoxy-3,11,12,15-tetrahydroxy-2,16-dioxo-, methyl ester, (11beta,12alpha,15beta)- |
| Q27133978 |
| methyl (11beta,12alpha,15beta)-3,11,12,15-tetrahydroxy-2,16-dioxo-13,20-epoxypicras-3-en-21-oate |
| Picras-3-en-21-oic acid, 13,20-epoxy-3,11,12,15-tetrahydroxy-2,16-dioxo-, methyl ester,(11beta,12alpha,15beta)- |
Microbial origin
| Microorganism group | Scientific Name | Reference | Source |
|---|---|---|---|
| Bacteria | Amycolatopsis azurea |
Database:UNPD* |
NPASS |