Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA030113
PROPERTIES
| NPAID | NPA030113 |
|---|---|
| CLUSTER ID | 8834 |
| NODE ID | 5963 |
| NAME | Griseophenone I |
| FORMULA | C17H16Cl2O6 |
| MOLECULAR WEIGHT (Da) | 387.2150 |
| ACCURATE MASS (Da) | 386.0324 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | canescens |
| InChIKey | DBFSLSWFPHUGST-UHFFFAOYSA-N |
| InChI | InChI=1S/C17H16Cl2O6/c1-7-5-8(20)6-9(23-2)10(7)14(21)11-15(22)12(18)17(25-4)13(19)16(11)24-3/h5-6,20,22H,1-4H3 |
| SMILES | COC1=C(C(=O)C2=C(O)C(Cl)=C(OC)C(Cl)=C2OC)C(C)=CC(O)=C1 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Roullier, C; Guitton, Y; Valery, M; Amand, S; Prado, S; Robiou du Pont, T; Grovel, O; Pouchus, YF Automated Detection of Natural Halogenated Compounds from LC-MS Profiles-Application to the Isolation of Bioactive Chlorinated Compounds from Marine-Derived Fungi. Analytical Chemistry 2016 88 (18) 9143-9150. | ||
|---|---|---|---|
| DOI | 10.1021/acs.analchem.6b02128 | PMID | 27537349 |
