seco-Patulolide C
-
Formula: C12H22O4
-
Molecular weight: 230.30
-
Smiles: CC(CCCCCCC(C=CC(=O)O)O)O
seco-Patulolide C
Names
-
Mycotoxin name: seco-Patulolide C
-
First synonym: None
-
Synonyms: Seco-patulolide C,(E,4S,11R)-4,11-dihydroxydodec-2-enoic acid,CHEMBL3605256,CHEBI:200473,(2E,4S,11R)-4,11-Dihydroxydodec-2-enoate
Identifiers / External links
-
PubChem CID: 122186343
-
ChEMBL: CHEMBL3605256
-
Chemical Entities of Biological Interest (CHEBI): CHEBI:200473
Structure
-
Smiles: CC(CCCCCCC(C=CC(=O)O)O)O
-
Isomeric smiles: C[C@H](CCCCCC[C@@H](/C=C/C(=O)O)O)O
-
Inchi: InChI=1S/C12H22O4/c1-10(13)6-4-2-3-5-7-11(14)8-9-12(15)16/h8-11,13-14H,2-7H2,1H3,(H,15,16)/b9-8+/t10-,11+/m1/s1
-
Inchikey: NNXXCBGYPOEXLL-OJLMFNQTSA-N
-
2D structure:
-
3D structure:
Physico-chemical properties
-
Formula: C12H22O4
-
Molecular weight: 230.30
-
Monoisotopic mass: 230.15180918
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