Herbarin A
-
Formula: C12H12O5
-
Molecular weight: 236.22
-
Smiles: CC1=C(OC(=O)C=C1OC)C=CC=CC(=O)O
-
Type: Naphthaquinone
Herbarin A
Names
-
Mycotoxin name: Herbarin A
-
First synonym: None
-
Synonyms: Herbarin A,(2E,4E)-5-(4-methoxy-3-methyl-6-oxopyran-2-yl)penta-2,4-dienoic acid,CHEBI:207778
Identifiers / External links
-
PubChem CID: 11042715
-
ChemSpiderID: 9217883
-
Chemical Entities of Biological Interest (CHEBI): CHEBI:207778
Structure
-
Smiles: CC1=C(OC(=O)C=C1OC)C=CC=CC(=O)O
-
Isomeric smiles: CC1=C(OC(=O)C=C1OC)/C=C/C=C/C(=O)O
-
Inchi: InChI=1S/C12H12O5/c1-8-9(5-3-4-6-11(13)14)17-12(15)7-10(8)16-2/h3-7H,1-2H3,(H,13,14)/b5-3+,6-4+
-
Inchikey: ISQQPILYSRJHBC-GGWOSOGESA-N
-
2D structure:
-
3D structure:
Physico-chemical properties
-
Formula: C12H12O5
-
Molecular weight: 236.22
-
Monoisotopic mass: 236.06847348
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