Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA020869
PROPERTIES
| NPAID | NPA020869 |
|---|---|
| CLUSTER ID | 542 |
| NODE ID | 484 |
| NAME | Asperlicin |
| FORMULA | C31H29N5O4 |
| MOLECULAR WEIGHT (Da) | 535.6040 |
| ACCURATE MASS (Da) | 535.2220 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | alliaceus |
| InChIKey | MGMRIOLWEROPJY-GAUJCRDCSA-N |
| InChI | InChI=1S/C31H29N5O4/c1-17(2)15-22-29(39)36-25-14-8-5-11-20(25)31(40,30(36)34-22)16-23-26-32-21-12-6-3-9-18(21)28(38)35(26)24-13-7-4-10-19(24)27(37)33-23/h3-14,17,22-23,30,34,40H,15-16H2,1-2H3,(H,33,37)/t22-,23-,30?,31-/m0/s1 |
| SMILES | CC(C)C[C@H]1C(=O)N2C(N1)[C@@](C3=CC=CC=C32)(C[C@H]4C5=NC6=CC=CC=C6C(=O)N5C7=CC=CC=C7C(=O)N4)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Liesch JM; Hensens OD; Springer JP; Chang RS; Lotti VJ Asperlicin, a novel non-peptidal cholecystokinin antagonist from Aspergillus alliaceus. Structure elucidation Journal of Antibiotics 1985 38 (12) 1638-1641. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.38.1638 | PMID | 3841533 |
