Fumisoquin b
-
Formula: C13H16N2O8S
-
Molecular weight: 360.34
-
Smiles: C1C(C2C(C3=C(CN2C(=O)C1N)C(=C(C=C3)OS(=O)(=O)O)O)O)O
Fumisoquin b
Names
-
Mycotoxin name: Fumisoquin b
-
First synonym: None
-
Synonyms:
Identifiers / External links
-
PubChem CID: 118796943
-
ChemSpiderID: 78444590
-
Chemical Entities of Biological Interest (CHEBI): CHEBI:167214
Structure
-
Smiles: C1C(C2C(C3=C(CN2C(=O)C1N)C(=C(C=C3)OS(=O)(=O)O)O)O)O
-
Isomeric smiles: C1[C@@H]([C@@H]2[C@@H](C3=C(CN2C(=O)[C@H]1N)C(=C(C=C3)OS(=O)(=O)O)O)O)O
-
Inchi: InChI=1S/C13H16N2O8S/c14-7-3-8(16)10-12(18)5-1-2-9(23-24(20,21)22)11(17)6(5)4-15(10)13(7)19/h1-2,7-8,10,12,16-18H,3-4,14H2,(H,20,21,22)/t7-,8-,10+,12+/m0/s1
-
Inchikey: BGFQBPLLFWLCBB-ZOWUKKRWSA-N
-
2D structure:
-
3D structure:
Physico-chemical properties
-
Formula: C13H16N2O8S
-
Molecular weight: 360.34
-
Monoisotopic mass: 360.06273665
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