Aflatoxin exb2
-
Formula: C19H18O7
-
Molecular weight: 358.30
-
Smiles: CCOC1CC2C(O1)OC3=CC(=C4C5=C(C(=O)CC5)C(=O)OC4=C23)OC
Aflatoxin exb2
Names
-
Mycotoxin name: Aflatoxin exb2
-
First synonym: Aflatoxin exb2
-
Synonyms: Aflatoxin ExB2,CHEBI:175599,23402-20-2,5-ethoxy-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,9,11,13(17)-tetraene-16,18-dione
Identifiers / External links
-
CAS: 23402-20-2
-
PubChem CID: 90470443
-
ChemSpiderID: 35014674
-
Chemical Entities of Biological Interest (CHEBI): CHEBI:175599
-
CompTox Chemicals Dashboard (DTXSID): DTXSID501109389
Structure
-
Smiles: CCOC1CC2C(O1)OC3=CC(=C4C5=C(C(=O)CC5)C(=O)OC4=C23)OC
-
Isomeric smiles: CCOC1CC2C(O1)OC3=CC(=C4C5=C(C(=O)CC5)C(=O)OC4=C23)OC
-
Inchi: InChI=1S/C19H18O7/c1-3-23-13-6-9-16-12(24-19(9)25-13)7-11(22-2)15-8-4-5-10(20)14(8)18(21)26-17(15)16/h7,9,13,19H,3-6H2,1-2H3
-
Inchikey: PPRSMUWPTLLGMJ-UHFFFAOYSA-N
-
2D structure:
-
3D structure:
Physico-chemical properties
-
Formula: C19H18O7
-
Molecular weight: 358.30
-
Monoisotopic mass: 358.10525291
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 125 Aspergillus flavus