Xestodecalactone c
-
Formula: C14H16O6
-
Molecular weight: 280.27
-
Smiles: CC1CC(CC(=O)C2=C(CC(=O)O1)C=C(C=C2O)O)O
Xestodecalactone c
Names
-
Mycotoxin name: Xestodecalactone c
-
First synonym: Xestodecalactone c
-
Synonyms: Xestodecalactone C,CHEMBL450697,SCHEMBL6498152,5,6,9,10,11,12-Hexahydro-1,3,10alpha-trihydroxy-8beta-methyl-8H-7-oxabenzocyclodecene-6,12-dione
Identifiers / External links
-
CAS: 474898-23-2
-
PubChem CID: 11033245
-
ChEMBL: CHEMBL450697,CHEMBL6498152
-
SCHEMBL: SCHEMBL6498152
Structure
-
Smiles: CC1CC(CC(=O)C2=C(CC(=O)O1)C=C(C=C2O)O)O
-
Isomeric smiles: C[C@H]1C[C@@H](CC(=O)C2=C(CC(=O)O1)C=C(C=C2O)O)O
-
Inchi: InChI=1S/C14H16O6/c1-7-2-9(15)5-11(17)14-8(4-13(19)20-7)3-10(16)6-12(14)18/h3,6-7,9,15-16,18H,2,4-5H2,1H3/t7-,9-/m0/s1
-
Inchikey: OESLECARYLNMSC-CBAPKCEASA-N
-
2D structure:
-
3D structure:
Physico-chemical properties
-
Formula: C14H16O6
-
Molecular weight: 280.27
-
Monoisotopic mass: 280.09468823
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 750 Penicillium cf. montanense