Isopatulin
-
Formula: C7H6O4
-
Molecular weight: 154.12
-
Smiles: C1C2=CC(=O)OC2=CC(O1)O
-
Type: Furopyran
Isopatulin
Names
-
Mycotoxin name: Isopatulin
-
First synonym: Isopatulin
-
Synonyms: isopatulin,neopatulin,70402-10-7,6-hydroxy-4,6-dihydrofuro[3,2-c]pyran-2-one,3-hydroxy-4,9-dioxabicyclo[4.3.0]nona-1,6-dien-8-one,6-hydroxy-4H-Furo[3,2-c]pyran-2(6H)-one,4H-Furo(3,2-c)pyran-2(6H)-one, 6-hydroxy-,DTXSID60990610,CHEBI:145111,AKOS030254777,FT-0672676
Identifiers / External links
-
CAS: 70402-10-7
-
PubChem CID: 155497
-
ChemSpiderID: 91476
-
US FDA (UNII): UNII-45ZSX3D9J5
-
Chemical Entities of Biological Interest (CHEBI): CHEBI:145111
-
CompTox Chemicals Dashboard (DTXSID): DTXSID60990610
Structure
-
Smiles: C1C2=CC(=O)OC2=CC(O1)O
-
Isomeric smiles: C1C2=CC(=O)OC2=CC(O1)O
-
Inchi: InChI=1S/C7H6O4/c8-6-2-5-4(3-10-6)1-7(9)11-5/h1-2,6,8H,3H2
-
Inchikey: ZGBMSNKHUHZKEP-UHFFFAOYSA-N
-
2D structure:
-
3D structure:
Physico-chemical properties
-
Formula: C7H6O4
-
Molecular weight: 154.12
-
Monoisotopic mass: 154.02660867
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 989 Penicillium urticae 990 Penicillium urticae 2159k