chaetomugilin l
-
Formula: C23H29ClO4
-
Molecular weight: 404.90
-
Smiles: CCC(C)C=CC1=CC2=C(C(=O)C3(C(C2=CO1)CC(O3)(C(=CC)C)OC)C)Cl
chaetomugilin l
Names
-
Mycotoxin name: chaetomugilin l
-
First synonym: None
-
Synonyms: Chaetomugilin L,CHEBI:202089,(6aS,8S,9aS)-8-[(E)-but-2-en-2-yl]-5-chloro-8-methoxy-6a-methyl-3-[(E,3S)-3-methylpent-1-enyl]-9,9a-dihydrouro[2,3-h]isochromen-6-one,1187848-02-7
Identifiers / External links
-
CAS: 1187848-02-7
-
PubChem CID: 44250026
-
ChemSpiderID: 27024229
-
Chemical Entities of Biological Interest (CHEBI): CHEBI:202089
Structure
-
Smiles: CCC(C)C=CC1=CC2=C(C(=O)C3(C(C2=CO1)CC(O3)(C(=CC)C)OC)C)Cl
-
Isomeric smiles: CC[C@H](C)/C=C/C1=CC2=C(C(=O)[C@@]3([C@H](C2=CO1)C[C@](O3)(/C(=C/C)/C)OC)C)Cl
-
Inchi: InChI=1S/C23H29ClO4/c1-7-14(3)9-10-16-11-17-18(13-27-16)19-12-23(26-6,15(4)8-2)28-22(19,5)21(25)20(17)24/h8-11,13-14,19H,7,12H2,1-6H3/b10-9+,15-8+/t14-,19-,22-,23-/m0/s1
-
Inchikey: KFQCGBJJOYTCQU-SISWDXRISA-N
-
2D structure:
-
3D structure:
Physico-chemical properties
-
Formula: C23H29ClO4
-
Molecular weight: 404.90
-
Monoisotopic mass: 404.1754371
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 338 Chaetomium globosum OUPS-T106B-6