Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA012491
PROPERTIES
| NPAID | NPA012491 |
|---|---|
| CLUSTER ID | 4686 |
| NODE ID | 650 |
| NAME | Agroclavine I |
| FORMULA | C16H18N2 |
| MOLECULAR WEIGHT (Da) | 238.3340 |
| ACCURATE MASS (Da) | 238.1470 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | kapuscinskii strain UCM F-2156D |
| InChIKey | XJOOMMHNYOJWCZ-DZGCQCFKSA-N |
| InChI | InChI=1S/C16H18N2/c1-10-6-13-12-4-3-5-14-16(12)11(8-17-14)7-15(13)18(2)9-10/h3-6,8,13,15,17H,7,9H2,1-2H3/t13-,15+/m0/s1 |
| SMILES | CC1=C[C@@H]2[C@@H](CC3=CNC4=CC=CC2=C34)N(C1)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Sakharovsky, V.G.; Kozlovsky, A.G. THE CONFORMATIONAL STUDY OF THE NEW ERGOT ALKALOIDS AGROCLAVINE-I AND EPOXYAGROCLAVINE-I BY PROTON MAGNETIC RESONANCE SPECTROSCOPY Tetrahedron Letters 1984 25 (1) 109-112. | ||
|---|---|---|---|
| DOI | 10.1016/s0040-4039(01)91162-1 | PMID | - |
