Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA019294
PROPERTIES
| NPAID | NPA019294 |
|---|---|
| CLUSTER ID | 383 |
| NODE ID | 345 |
| NAME | Aspochalamin D |
| FORMULA | C44H55N5O4 |
| MOLECULAR WEIGHT (Da) | 717.9550 |
| ACCURATE MASS (Da) | 717.4254 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | niveus |
| InChIKey | PCJFHYLIYGCNOL-PTWPLCFUSA-N |
| InChI | InChI=1S/C44H55N5O4/c1-26(2)21-38-40-29(5)28(4)23-32-22-27(3)13-7-8-14-33(24-39(50)44(32,40)43(53)49-38)48-37-18-12-10-16-35(37)42(52)47-30(6)41(51)45-20-19-31-25-46-36-17-11-9-15-34(31)36/h9-12,15-20,22-23,25-26,29-30,32-33,38,40,46,48H,7-8,13-14,21,24H2,1-6H3,(H,45,51)(H,47,52)(H,49,53)/b20-19+,27-22-/t29-,30-,32+,33?,38+,40+,44-/m1/s1 |
| SMILES | C[C@H]1[C@H]2[C@@H](NC(=O)[C@@]23[C@@H](/C=C(\CCCCC(CC3=O)NC4=CC=CC=C4C(=O)N[C@H](C)C(=O)N/C=C/C5=CNC6=CC=CC=C65)/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 |
