Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA025481
PROPERTIES
| NPAID | NPA025481 |
|---|---|
| CLUSTER ID | 7697 |
| NODE ID | 5257 |
| NAME | Porosuphenol B |
| FORMULA | C27H38O6 |
| MOLECULAR WEIGHT (Da) | 458.5950 |
| ACCURATE MASS (Da) | 458.2668 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | porosus |
| InChIKey | BGHJKGLKXACHPT-LQNJGUKQSA-N |
| InChI | InChI=1S/C27H38O6/c1-15(9-16(2)21(7)29)10-17(3)26(31)20(6)27(32)18(4)11-24-22(12-19(5)28)13-23(30)14-25(24)33-8/h9-10,13-14,16,18,20-21,29-30H,11-12H2,1-8H3/b15-9+,17-10+/t16-,18+,20-,21-/m0/s1 |
| SMILES | C[C@H](CC1=C(C=C(C=C1CC(=O)C)O)OC)C(=O)[C@@H](C)C(=O)/C(=C/C(=C/[C@H](C)[C@H](C)O)/C)/C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Neuhaus GF; Adpressa DA; Bruhn T; Loesgen S Polyketides from Marine-Derived Aspergillus porosus: Challenges and Opportunities for Determining Absolute Configuration. Journal of Natural Products 2019 82 (10) 2780-2789. | ||
|---|---|---|---|
| DOI | 10.1021/acs.jnatprod.9b00416 | PMID | 31557023 |
