Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000856106 | Gold | 1 |
COMPOUND NPA018250
PROPERTIES
| NPAID | NPA018250 |
|---|---|
| CLUSTER ID | 3794 |
| NODE ID | 2848 |
| NAME | Fumigaclavine C |
| FORMULA | C23H30N2O2 |
| MOLECULAR WEIGHT (Da) | 366.5050 |
| ACCURATE MASS (Da) | 366.2307 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | fumigatus |
| InChIKey | OSICWVVWEXKSBD-LFAYTRTRSA-N |
| InChI | InChI=1S/C23H30N2O2/c1-7-23(4,5)22-16-11-18-20(15-9-8-10-17(24-22)19(15)16)21(27-14(3)26)13(2)12-25(18)6/h7-10,13,18,20-21,24H,1,11-12H2,2-6H3/t13-,18+,20+,21-/m0/s1 |
| SMILES | C[C@H]1CN([C@@H]2CC3=C(NC4=CC=CC(=C34)[C@H]2[C@H]1OC(=O)C)C(C)(C)C=C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Cole RJ, Kirksey JW, Dorner JW, Wilson DM, Johnson JC Jr, Johnson AN, Bedell DM, Springer JP, Chexal KK, Clardy JC, Cox RH Mycotoxins produced by Aspergillus fumigatus species isolated from molded silage Journal of Agricultural and Food Chemistry 1977 25 (4) 826-830. | ||
|---|---|---|---|
| DOI | 10.1021/jf60212a015 | PMID | 328548 |
