Austocystin E
-
Formula: C23H22O8
-
Molecular weight: 426.40
-
Smiles: CC(C)(CCC1=C2C(=C(C=C1)O)C(=O)C3=C(C4=C(C=C3O2)OC5C4(C=CO5)O)OC)O
-
Type: Austocystin (Furoxanthenone)
Austocystin E
Names
-
Mycotoxin name: Austocystin E
-
First synonym: None
-
Synonyms: Austocystin E,55256-54-7,DTXSID80970590,5H-Furo(3',2':4,5)furo(3,2-b)xanthen-5-one, 3a,12a-dihydro-3a,6-dihydroxy-9-(3-hydroxy-3-methylbutyl)-4-methoxy-, (3aR-cis)-,3a,6-Dihydroxy-9-(3-hydroxy-3-methylbutyl)-4-methoxy-3a,12a-dihydro-5H-furo[3',2':4,5]furo[3,2-b]xanthen-5-one
Identifiers / External links
-
CAS: 55256-54-7
-
PubChem CID: 5748655
-
ChemSpiderID: 4678069
-
CompTox Chemicals Dashboard (DTXSID): DTXSID80970590
Structure
-
Smiles: CC(C)(CCC1=C2C(=C(C=C1)O)C(=O)C3=C(C4=C(C=C3O2)OC5C4(C=CO5)O)OC)O
-
Isomeric smiles: CC(C)(CCC1=C2C(=C(C=C1)O)C(=O)C3=C(C4=C(C=C3O2)O[C@H]5[C@@]4(C=CO5)O)OC)O
-
Inchi: InChI=1S/C23H22O8/c1-22(2,26)7-6-11-4-5-12(24)15-18(25)16-13(30-19(11)15)10-14-17(20(16)28-3)23(27)8-9-29-21(23)31-14/h4-5,8-10,21,24,26-27H,6-7H2,1-3H3/t21-,23-/m0/s1
-
Inchikey: ICLRNDIRYAEKCT-GMAHTHKFSA-N
-
2D structure:
-
3D structure:
Physico-chemical properties
-
Formula: C23H22O8
-
Molecular weight: 426.40
-
Monoisotopic mass: 426.13146766
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 279 Aspergillus ustus