Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA019766
PROPERTIES
| NPAID | NPA019766 |
|---|---|
| CLUSTER ID | 5109 |
| NODE ID | 113 |
| NAME | Agaridoxin |
| FORMULA | C11H14N2O5 |
| MOLECULAR WEIGHT (Da) | 254.2420 |
| ACCURATE MASS (Da) | 254.0903 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Agaricus |
| ORIGIN SPECIES | campestris |
| InChIKey | HJLNKWYSKFDHDG-ZETCQYMHSA-N |
| InChI | InChI=1S/C11H14N2O5/c12-7(11(17)18)2-4-10(16)13-6-1-3-8(14)9(15)5-6/h1,3,5,7,14-15H,2,4,12H2,(H,13,16)(H,17,18)/t7-/m0/s1 |
| SMILES | C1=CC(=C(C=C1NC(=O)CC[C@@H](C(=O)O)N)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Szent-Gyorgyi, A; Chung, R H; Boyajian, M J; Tishler, M; Arison, B H; Schoenewaldt, E F; Wittick, J J Agaridoxin, a mushroom metabolite. Isolation, structure, and synthesis Journal of Organic Chemistry 1976 41 (9) 1603-1606. | ||
|---|---|---|---|
| DOI | 10.1021/jo00871a027 | PMID | 944247 |
