Chemical structure
Bryophyllin A
| CID | Molecular formula | Molecular weight | Canonical smiles | Isomeric smiles | Exact mass |
|---|---|---|---|---|---|
| 5488801 | C26H32O8 | 472.5 | CC12CC(C3C(C1(CCC2C4 =COC(=O)C=C4)O)CCC56 C3(C7CC(C5)OC(O7)(O6 )C)C=O)O | C[C@]12C[C@H]([C@H]3[C@H]([C@]1(CC[C@@H]2C4=COC(=O)C=C4)O)CC[C@@]56[C@@]3([C@H]7C[C@@H](C5)O[C@](O7)(O6)C)C=O)O | 472.209718 |
SMILES:
Synonym
| Synonym |
|---|
| Bryophyllin A |
| 105608-32-0 |
| Bryotoxin C |
| CHEMBL521354 |
| Bufa-20,22-dienolide, 1,3,5-(ethylidynetris(oxy))-11,14-dihydroxy-19-oxo-, (1beta(R),3beta,5beta,11alpha)- |
Microbial origin
| Microorganism group | Scientific Name | Reference | Source |
|---|---|---|---|
| Fungi | Aspergillus japonicus |
Database:UNPD* |
NPASS |