Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA004156
PROPERTIES
| NPAID | NPA004156 |
|---|---|
| CLUSTER ID | 2197 |
| NODE ID | 1748 |
| NAME | Insulicolide A |
| FORMULA | C22H25NO8 |
| MOLECULAR WEIGHT (Da) | 431.4410 |
| ACCURATE MASS (Da) | 431.1580 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | insulicola |
| InChIKey | ISKLVGANHNNXLD-PNBTUHDLSA-N |
| InChI | InChI=1S/C22H25NO8/c1-20(11-24)8-3-9-21(2)17(20)16(10-15-19(26)30-12-22(15,21)27)31-18(25)13-4-6-14(7-5-13)23(28)29/h4-7,10,16-17,24,27H,3,8-9,11-12H2,1-2H3/t16-,17+,20-,21+,22-/m1/s1 |
| SMILES | C[C@@]1(CCC[C@]2([C@H]1[C@@H](C=C3[C@@]2(COC3=O)O)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C)CO |
ORIGINAL ISOLATION REFERENCE
| CITATION | Rahbaek; Christophersen; Frisvad; Bengaard; Larsen; Rassing Insulicolide A: A new nitrobenzoyloxy-substituted sesquiterpene from the marine fungus Aspergillus insulicola Journal of Natural Products 1997 60 (8) 811-813. | ||
|---|---|---|---|
| DOI | 10.1021/np970142f | PMID | - |
