desmethylsulochrin
-
Formula: C16H14O7
-
Molecular weight: 318.28
-
Smiles: CC1=CC(=C(C(=C1)O)C(=O)C2=C(C=C(C=C2OC)O)C(=O)O)O
desmethylsulochrin
Names
-
Mycotoxin name: desmethylsulochrin
-
First synonym: None
-
Synonyms: Demethylsulochrin,desmethylsulochrin,CHEBI:48948,2-(2,6-dihydroxy-4-methylbenzoyl)-5-hydroxy-3-methoxybenzoic acid,59092-92-1,CHEMBL61150,DTXSID701166949,Q27121398,Benzoic acid, 2-(2,6-dihydroxy-4-methylbenzoyl)-5-hydroxy-3-methoxy-
Identifiers / External links
-
CAS: 59092-92-1
-
PubChem CID: 11954191
-
ChemSpiderID: 10128486
-
ChEMBL: CHEMBL61150
-
Wikidata (wiki): Q27121398
-
Chemical Entities of Biological Interest (CHEBI): CHEBI:48948
-
CompTox Chemicals Dashboard (DTXSID): DTXSID701166949
Structure
-
Smiles: CC1=CC(=C(C(=C1)O)C(=O)C2=C(C=C(C=C2OC)O)C(=O)O)O
-
Isomeric smiles: CC1=CC(=C(C(=C1)O)C(=O)C2=C(C=C(C=C2OC)O)C(=O)O)O
-
Inchi: InChI=1S/C16H14O7/c1-7-3-10(18)14(11(19)4-7)15(20)13-9(16(21)22)5-8(17)6-12(13)23-2/h3-6,17-19H,1-2H3,(H,21,22)
-
Inchikey: XMNMFMYKFRXRFH-UHFFFAOYSA-N
-
2D structure:
-
3D structure:
Physico-chemical properties
-
Formula: C16H14O7
-
Molecular weight: 318.28
-
Monoisotopic mass: 318.07395278
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 270 Aspergillus terreus IMI16043