Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA011264
PROPERTIES
| NPAID | NPA011264 |
|---|---|
| CLUSTER ID | 1592 |
| NODE ID | 1307 |
| NAME | Epi-aculin A |
| FORMULA | C26H33NO7 |
| MOLECULAR WEIGHT (Da) | 471.5500 |
| ACCURATE MASS (Da) | 471.2257 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | aculeatus |
| InChIKey | CFQDQANDWNCASC-XOGGWNPGSA-N |
| InChI | InChI=1S/C26H33NO7/c1-4-16-11-21(29)26(3)18(16)8-7-15(2)10-22(26)34-25(32)19-6-5-9-27(19)23(30)12-17-14-33-24(31)13-20(17)28/h7-8,11,17,19,22,24,31H,4-6,9-10,12-14H2,1-3H3/t17?,19?,22-,24?,26-/m0/s1 |
| SMILES | CCC1=CC(=O)[C@@]2(C1=CC=C(C[C@@H]2OC(=O)C3CCCN3C(=O)CC4COC(CC4=O)O)C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Petersen, Lene M.; Holm, Dorte K.; Gotfredsen, Charlotte H.; Mortensen, Uffe H.; Larsen, Thomas O. Investigation of a 6-MSA Synthase Gene Cluster in Aspergillus aculeatus Reveals 6-MSA-derived Aculinic Acid, Aculins A-B and Epi-Aculin A ChemBioChem 2015 16 (15) 2200-2204. | ||
|---|---|---|---|
| DOI | 10.1002/cbic.201500210 | PMID | 26374386 |
