Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA002125
PROPERTIES
| NPAID | NPA002125 |
|---|---|
| CLUSTER ID | 1294 |
| NODE ID | 433 |
| NAME | Insuetolide A |
| FORMULA | C25H32O6 |
| MOLECULAR WEIGHT (Da) | 428.5250 |
| ACCURATE MASS (Da) | 428.2199 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | insuetus |
| InChIKey | WZMMXZUZVLVJHO-ZROKGNKJSA-N |
| InChI | InChI=1S/C25H32O6/c1-20(2)15-6-9-24-12-21(3)10-14-18(27)29-13-25(14,31-24)23(5,19(21)28)11-16(24)22(15,4)8-7-17(26)30-20/h7-8,14-16H,6,9-13H2,1-5H3/t14-,15+,16+,21-,22+,23+,24+,25?/m1/s1 |
| SMILES | C[C@]12C[C@@H]3C(=O)OCC34[C@](C1=O)(C[C@H]5[C@]6(C=CC(=O)OC([C@@H]6CC[C@@]5(C2)O4)(C)C)C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Cohen, Elazar; Koch, Liat; Thu, Kathy Myint; Rahamim, Yocheved; Aluma, Yaniv; Ilan, Micha; Yarden, Oded; Carmeli, Shmuel Novel terpenoids of the fungus Aspergillus insuetus isolated from the Mediterranean sponge Psammocinia sp. collected along the coast of Israel Bioorganic and Medicinal Chemistry 2011 19 (22) 6587-6593. | ||
|---|---|---|---|
| DOI | 10.1016/j.bmc.2011.05.045 | PMID | 21676619 |
