Xyloallenolide b
-
Formula: C23H24O3
-
Molecular weight: 348.40
-
Smiles: CC(=C)C1CC2=C(O1)C=CC(=C2)COCC3=CC=C(C=C3)OCC=C=C
Xyloallenolide b
Names
-
Mycotoxin name: Xyloallenolide b
-
First synonym: Xyloallenolide b
-
Synonyms: xyloallenolide B,Xyloallenoid B,CHEMBL485879
Identifiers / External links
-
CAS: 1035349-36-0
-
PubChem CID: 24970515
-
ChEMBL: CHEMBL485879
Structure
-
Smiles: CC(=C)C1CC2=C(O1)C=CC(=C2)COCC3=CC=C(C=C3)OCC=C=C
-
Isomeric smiles: CC(=C)C1CC2=C(O1)C=CC(=C2)COCC3=CC=C(C=C3)OCC=C=C
-
Inchi: InChI=1S/C23H24O3/c1-4-5-12-25-21-9-6-18(7-10-21)15-24-16-19-8-11-22-20(13-19)14-23(26-22)17(2)3/h5-11,13,23H,1-2,12,14-16H2,3H3
-
Inchikey: UXMKTBMXHHRKAM-UHFFFAOYSA-N
-
2D structure:
-
3D structure:
Physico-chemical properties
-
Formula: C23H24O3
-
Molecular weight: 348.40
-
Monoisotopic mass: 348.17254462
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