Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA019382
PROPERTIES
| NPAID | NPA019382 |
|---|---|
| CLUSTER ID | 1294 |
| NODE ID | 433 |
| NAME | Insuetolide B |
| FORMULA | C25H32O7 |
| MOLECULAR WEIGHT (Da) | 444.5240 |
| ACCURATE MASS (Da) | 444.2148 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | insuetus |
| InChIKey | QXZNFWAPDOLGEF-ODLCCJFCSA-N |
| InChI | InChI=1S/C25H32O7/c1-20(2)13-6-9-24-11-22(4)17(27)16-18(28)30-12-25(16,32-24)23(5,19(22)29)10-14(24)21(13,3)8-7-15(26)31-20/h7-8,13-14,16-17,27H,6,9-12H2,1-5H3/t13-,14-,16+,17+,21-,22-,23-,24-,25?/m0/s1 |
| SMILES | C[C@]12C[C@H]3[C@]4(C=CC(=O)OC([C@@H]4CC[C@]35C[C@](C1=O)([C@@H]([C@H]6C2(O5)COC6=O)O)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 |
