Isochromophilone xi
-
Formula: C25H29ClO8
-
Molecular weight: 492.90
-
Smiles: CCC(C)C=C(C)C=CC1=CC2=C(C(=O)C(C(=O)C2(CO1)O)(C)OC(=O)C=C(C)CC(=O)O)Cl
Isochromophilone xi
Names
-
Mycotoxin name: Isochromophilone xi
-
First synonym: Isochromophilone xi
-
Synonyms: Isochromophilone XI
Identifiers / External links
-
CAS: 1428947-39-0
-
PubChem CID: 139588420
-
ChemSpiderID: 29215575
-
Chemical Entities of Biological Interest (CHEBI): CHEBI:213214
Structure
-
Smiles: CCC(C)C=C(C)C=CC1=CC2=C(C(=O)C(C(=O)C2(CO1)O)(C)OC(=O)C=C(C)CC(=O)O)Cl
-
Isomeric smiles: CCC(C)/C=C(\C)/C=CC1=CC2=C(C(=O)C(C(=O)C2(CO1)O)(C)OC(=O)/C=C(\C)/CC(=O)O)Cl
-
Inchi: InChI=1S/C25H29ClO8/c1-6-14(2)9-15(3)7-8-17-12-18-21(26)22(30)24(5,23(31)25(18,32)13-33-17)34-20(29)11-16(4)10-19(27)28/h7-9,11-12,14,32H,6,10,13H2,1-5H3,(H,27,28)/b8-7?,15-9+,16-11+
-
Inchikey: VMNQERFVALEMDE-LPZQESTRSA-N
-
2D structure:
-
3D structure:
Physico-chemical properties
-
Formula: C25H29ClO8
-
Molecular weight: 492.90
-
Monoisotopic mass: 492.1550956
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 432 Diaporthe sp. IFB-3lp-10