Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA013388
PROPERTIES
| NPAID | NPA013388 |
|---|---|
| CLUSTER ID | 383 |
| NODE ID | 345 |
| NAME | Aspochalamin A |
| FORMULA | C44H55N5O6 |
| MOLECULAR WEIGHT (Da) | 749.9530 |
| ACCURATE MASS (Da) | 749.4152 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | niveus |
| InChIKey | KEELNIMPYFTRIJ-ZBFZKZRASA-N |
| InChI | InChI=1S/C44H55N5O6/c1-24(2)19-35-39-27(5)26(4)21-30-20-25(3)15-16-37(50)40(52)36(22-38(51)44(30,39)43(55)49-35)48-34-14-10-8-12-32(34)42(54)47-28(6)41(53)45-18-17-29-23-46-33-13-9-7-11-31(29)33/h7-14,17-18,20-21,23-24,27-28,30,35-37,39-40,46,48,50,52H,15-16,19,22H2,1-6H3,(H,45,53)(H,47,54)(H,49,55)/b18-17+,25-20-/t27-,28-,30+,35+,36?,37?,39+,40?,44-/m1/s1 |
| SMILES | C[C@H]1[C@H]2[C@@H](NC(=O)[C@@]23[C@@H](/C=C(\CCC(C(C(CC3=O)NC4=CC=CC=C4C(=O)N[C@H](C)C(=O)N/C=C/C5=CNC6=CC=CC=C65)O)O)/C)C=C1C)CC(C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | GEBHARDT, KLAUS; SCHIMANA, JUDITH; HÖLTZEL, ALEXANDRA; DETTNER, KONRAD; DRAEGER, SIEGFRIED; BEIL, WINFRIED; RHEINHEIMER, JOACHIM; FIEDLER, HANS-PETER Aspochalamins A-D and Aspochalasin Z Produced by the Endosymbiotic Fungus Aspergillus niveus LU 9575: I. Taxonomy, Fermentation, Isolation and Biological Activities Journal of Antibiotics 2004 57 (11) 707-714. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.57.707 | PMID | 15712664 |
