Phelligridin a
-
Formula: C13H8O6
-
Molecular weight: 260.20
-
Smiles: CC1=CC2=C(C3=CC(=C(C=C3C(=O)O2)O)O)C(=O)O1
Phelligridin a
Names
-
Mycotoxin name: Phelligridin a
-
First synonym: None
-
Synonyms: phelligridin A,CHEMBL446850,AQXTXYPAJZSNIZ-UHFFFAOYSA-,InChI=1/C13H8O6/c1-5-2-10-11(13(17)18-5)6-3-8(14)9(15)4-7(6)12(16)19-10/h2-4,14-15H,1H3
Identifiers / External links
-
PubChem CID: 44559563
-
ChEMBL: CHEMBL446850
Structure
-
Smiles: CC1=CC2=C(C3=CC(=C(C=C3C(=O)O2)O)O)C(=O)O1
-
Isomeric smiles: CC1=CC2=C(C3=CC(=C(C=C3C(=O)O2)O)O)C(=O)O1
-
Inchi: InChI=1S/C13H8O6/c1-5-2-10-11(13(17)18-5)6-3-8(14)9(15)4-7(6)12(16)19-10/h2-4,14-15H,1H3
-
Inchikey: AQXTXYPAJZSNIZ-UHFFFAOYSA-N
-
2D structure:
-
3D structure:
Physico-chemical properties
-
Formula: C13H8O6
-
Molecular weight: 260.20
-
Monoisotopic mass: 260.03208797
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