Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA000496
PROPERTIES
| NPAID | NPA000496 |
|---|---|
| CLUSTER ID | 383 |
| NODE ID | 345 |
| NAME | Aspochalamin C |
| FORMULA | C44H55N5O5 |
| MOLECULAR WEIGHT (Da) | 733.9540 |
| ACCURATE MASS (Da) | 733.4203 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | niveus |
| InChIKey | YELHVTGJKDJFEW-XGZUFEHESA-N |
| InChI | InChI=1S/C44H55N5O5/c1-25(2)20-37-40-28(5)27(4)22-31-21-26(3)12-11-17-38(50)36(23-39(51)44(31,40)43(54)49-37)48-35-16-10-8-14-33(35)42(53)47-29(6)41(52)45-19-18-30-24-46-34-15-9-7-13-32(30)34/h7-10,13-16,18-19,21-22,24-25,28-29,31,36-38,40,46,48,50H,11-12,17,20,23H2,1-6H3,(H,45,52)(H,47,53)(H,49,54)/b19-18+,26-21-/t28-,29-,31+,36?,37+,38?,40+,44-/m1/s1 |
| SMILES | C[C@H]1[C@H]2[C@@H](NC(=O)[C@@]23[C@@H](/C=C(\CCCC(C(CC3=O)NC4=CC=CC=C4C(=O)N[C@H](C)C(=O)N/C=C/C5=CNC6=CC=CC=C65)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 |
