Decarestrictin j
-
Formula: C10H16O4
-
Molecular weight: 200.23
-
Smiles: CC1CC(CCCC(=O)CC(=O)O1)O
Decarestrictin j
Names
-
Mycotoxin name: Decarestrictin j
-
First synonym: Decarestrictine j
-
Synonyms: Decarestrictine J,decarestrictin J,CHEMBL468861,Q57418243
Identifiers / External links
-
CAS: 144161-44-4,153492-12-7
-
PubChem CID: 10081493
-
ChemSpiderID: 8257031
-
ChEMBL: CHEMBL468861
-
Wikidata (wiki): Q57418243
-
Chemical Entities of Biological Interest (CHEBI): CHEBI:202716
-
CompTox Chemicals Dashboard (DTXSID): DTXSID701037433
Structure
-
Smiles: CC1CC(CCCC(=O)CC(=O)O1)O
-
Isomeric smiles: C[C@@H]1C[C@@H](CCCC(=O)CC(=O)O1)O
-
Inchi: InChI=1S/C10H16O4/c1-7-5-8(11)3-2-4-9(12)6-10(13)14-7/h7-8,11H,2-6H2,1H3/t7-,8-/m1/s1
-
Inchikey: CFFWJDRYTUTBMI-HTQZYQBOSA-N
-
2D structure:
-
3D structure:
Physico-chemical properties
-
Formula: C10H16O4
-
Molecular weight: 200.23
-
Monoisotopic mass: 200.10485899
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 922 Penicillium simplicissimum FH-A 6090