Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA009200
PROPERTIES
| NPAID | NPA009200 |
|---|---|
| CLUSTER ID | 46 |
| NODE ID | 11 |
| NAME | methyl chloroasterrate |
| FORMULA | C18H17ClO8 |
| MOLECULAR WEIGHT (Da) | 396.7790 |
| ACCURATE MASS (Da) | 396.0612 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | sp. |
| InChIKey | XSBBWBWHNNKSSM-UHFFFAOYSA-N |
| InChI | InChI=1S/C18H17ClO8/c1-8-5-11(13(18(23)26-4)15(21)14(8)19)27-16-10(17(22)25-3)6-9(20)7-12(16)24-2/h5-7,20-21H,1-4H3 |
| SMILES | CC1=CC(=C(C(=C1Cl)O)C(=O)OC)OC2=C(C=C(C=C2C(=O)OC)O)OC |
ORIGINAL ISOLATION REFERENCE
| CITATION | Hargreaves, Jaih; Park, Ja-On; Ghisalberti, Emilio L.; Sivasithamparam, Krishnapillai; Skelton, Brian W.; White, Allan H. New chlorinated diphenyl ethers from an Aspergillus species Journal of Natural Products 2002 65 (1) 7-10. | ||
|---|---|---|---|
| DOI | 10.1021/np0102758 | PMID | 11809055 |
