Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA006459
PROPERTIES
| NPAID | NPA006459 |
|---|---|
| CLUSTER ID | 418 |
| NODE ID | 377 |
| NAME | Coniosclerodione |
| FORMULA | C18H16O5 |
| MOLECULAR WEIGHT (Da) | 312.3210 |
| ACCURATE MASS (Da) | 312.0998 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Coniothyrium |
| ORIGIN SPECIES | cereale |
| InChIKey | FCPXFCYEMQOSCA-UHFFFAOYSA-N |
| InChI | InChI=1S/C18H16O5/c1-8(2)4-5-23-12-7-11(20)15-16-13(12)9(3)6-10(19)14(16)17(21)18(15)22/h4,6-7,19-20H,5H2,1-3H3 |
| SMILES | CC1=CC(=C2C3=C1C(=CC(=C3C(=O)C2=O)O)OCC=C(C)C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Elsebai, Mahmoud Fahmi; Kehraus, Stefan; Lindequist, Ulrike; Sasse, Florenz; Shaaban, Saad; Gütschow, Michael; Josten, Michaele; Sahl, Hans-Georg; König, Gabriele M Antimicrobial phenalenone derivatives from the marine-derived fungus Coniothyrium cereale Organic & Biomolecular Chemistry 2011 9 (3) 802-808. | ||
|---|---|---|---|
| DOI | 10.1039/c0ob00625d | PMID | 21103541 |
