Bisbynin
-
Formula: C15H22O5
-
Molecular weight: 282.33
-
Smiles: CC1C(C2=C(CO1)C(C3(C(C2O)O3)CC=C(C)C)O)O
Bisbynin
Names
-
Mycotoxin name: Bisbynin
-
First synonym: Bisbynin
-
Synonyms: Bisbynin,CHEBI:174704,ZINC31161739,MCULE-6937259697,(1aR,2S,5S,6R,7R,7aS)-5-methyl-1a-(3-methylbut-2-enyl)-2,3,5,6,7,7a-hexahydrooxireno[2,3-g]isochromene-2,6,7-triol
Identifiers / External links
-
PubChem CID: 38354670
-
ChemSpiderID: 21435597
-
Chemical Entities of Biological Interest (CHEBI): CHEBI:174704
Structure
-
Smiles: CC1C(C2=C(CO1)C(C3(C(C2O)O3)CC=C(C)C)O)O
-
Isomeric smiles: C[C@H]1[C@@H](C2=C(CO1)[C@@H]([C@@]3([C@H]([C@@H]2O)O3)CC=C(C)C)O)O
-
Inchi: InChI=1S/C15H22O5/c1-7(2)4-5-15-13(18)9-6-19-8(3)11(16)10(9)12(17)14(15)20-15/h4,8,11-14,16-18H,5-6H2,1-3H3/t8-,11-,12+,13-,14-,15+/m0/s1
-
Inchikey: ICHJNTDKHBXTFN-CMZGOGIXSA-N
-
2D structure:
-
3D structure:
Physico-chemical properties
-
Formula: C15H22O5
-
Molecular weight: 282.33
-
Monoisotopic mass: 282.1467238
Select an endpoint:
| Endpoint | Tool | QSAR ID | Value | Unit | Comments | Reference |
|---|
Select an endpoint:
| Category | Endpoint | Tool | QSAR ID | Value | Unit | Comments | Reference |
|---|
Select an endpoint:
| Category | Sub category | Endpoint | Tool | QSAR ID | Value | Unit | Comments | Reference |
|---|
Select an endpoint:
| Endpoint | Tool | Value | Unit | Comments | Reference |
|---|
Fungi
-
Fungi id Species 1088 Stachybotrys bisbyi