Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA020780
PROPERTIES
| NPAID | NPA020780 |
|---|---|
| CLUSTER ID | 542 |
| NODE ID | 484 |
| NAME | Asperlicin B |
| FORMULA | C31H29N5O5 |
| MOLECULAR WEIGHT (Da) | 551.6030 |
| ACCURATE MASS (Da) | 551.2169 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | alliaceus ATCC 20655 |
| InChIKey | SVMKNJGSJSFLSU-IWENFQHWSA-N |
| InChI | InChI=1S/C31H29N5O5/c1-17(2)15-25-29(39)35-24-14-8-5-11-20(24)31(40,30(35)36(25)41)16-22-26-32-21-12-6-3-9-18(21)28(38)34(26)23-13-7-4-10-19(23)27(37)33-22/h3-14,17,22,25,30,40-41H,15-16H2,1-2H3,(H,33,37)/t22-,25-,30+,31-/m0/s1 |
| SMILES | CC(C)C[C@H]1C(=O)N2[C@H](N1O)[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; Zink DL; Goetz MA Novel cholecystokinin antagonists from Aspergillus alliaceus. II. Structure determination of asperlicins B, C, D, and E Journal of Antibiotics 1988 41 (7) 878-881. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.41.878 | PMID | 3417562 |
