Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA000881
PROPERTIES
| NPAID | NPA000881 |
|---|---|
| CLUSTER ID | 620 |
| NODE ID | 551 |
| NAME | Aleurodisconitrile |
| FORMULA | C13H16N2O6 |
| MOLECULAR WEIGHT (Da) | 296.2790 |
| ACCURATE MASS (Da) | 296.1008 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aleurodiscus |
| ORIGIN SPECIES | amorphus |
| InChIKey | HREWMXYKFXVCNP-GZMMTYOYSA-N |
| InChI | InChI=1S/C13H16N2O6/c1-20-10-5-7(4-9(16)12(10)17)11(6-14)21-3-2-8(15)13(18)19/h4-5,8,11,16-17H,2-3,15H2,1H3,(H,18,19)/t8-,11+/m0/s1 |
| SMILES | COC1=CC(=CC(=C1O)O)[C@@H](C#N)OCC[C@@H](C(=O)O)N |
ORIGINAL ISOLATION REFERENCE
| CITATION | Kindler, Bernhard L J; Spiteller, Peter Chemical defense of the crust fungus Aleurodiscus amorphus by a tailor-made cyanogenic cyanohydrin ether Angewandte Chemie International Edition 2007 46 (42) 8076-8078. | ||
|---|---|---|---|
| DOI | 10.1002/anie.200702481 | PMID | 17886311 |
