Patulodin
-
Formula: C23H26O8
-
Molecular weight: 430.40
-
Smiles: CC=CC=CC=CC1=CC2=CC(=O)C(C(=O)C23C(O1)O3)(C)OC(=O)CC(CC(C)O)O
Patulodin
Names
-
Mycotoxin name: Patulodin
-
First synonym: Patulodin
-
Synonyms: Patulodin
Identifiers / External links
-
CAS: 162341-21-1
-
PubChem CID: 10477786
-
ChemSpiderID: 8653195
-
Chemical Entities of Biological Interest (CHEBI): CHEBI:220680
Structure
-
Smiles: CC=CC=CC=CC1=CC2=CC(=O)C(C(=O)C23C(O1)O3)(C)OC(=O)CC(CC(C)O)O
-
Isomeric smiles: C/C=C/C=C/C=C/C1=CC2=CC(=O)C(C(=O)C23C(O1)O3)(C)OC(=O)CC(CC(C)O)O
-
Inchi: InChI=1S/C23H26O8/c1-4-5-6-7-8-9-17-11-15-12-18(26)22(3,20(28)23(15)21(29-17)31-23)30-19(27)13-16(25)10-14(2)24/h4-9,11-12,14,16,21,24-25H,10,13H2,1-3H3/b5-4+,7-6+,9-8+
-
Inchikey: GWWPRBVUUXKASM-ZAJAATJQSA-N
-
2D structure:
-
3D structure:
Physico-chemical properties
-
Formula: C23H26O8
-
Molecular weight: 430.40
-
Monoisotopic mass: 430.16276778
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 991 Penicillium urticae P3Y