Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA020336
PROPERTIES
| NPAID | NPA020336 |
|---|---|
| CLUSTER ID | 6442 |
| NODE ID | 4455 |
| NAME | Hexadehydroastechrome |
| FORMULA | C60H63FeN9O9 |
| MOLECULAR WEIGHT (Da) | 1110.0630 |
| ACCURATE MASS (Da) | 1109.4098 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | fumigatus |
| InChIKey | VMCQADISIPBQMN-VMBSUALFSA-N |
| InChI | InChI=1S/3C20H21N3O3.Fe/c3*1-12(2)8-9-14-6-5-7-16-15(11-21-18(14)16)10-17-19(26-4)22-13(3)20(24)23(17)25;/h3*5-9,11,21,25H,1,10H2,2-4H3;/b3*9-8+; |
| SMILES | CC1=NC(=C(N(C1=O)O)CC2=CNC3=C2C=CC=C3/C=C/C(=C)C)OC.CC1=NC(=C(N(C1=O)O)CC2=CNC3=C2C=CC=C3/C=C/C(=C)C)OC.CC1=NC(=C(N(C1=O)O)CC2=CNC3=C2C=CC=C3/C=C/C(=C)C)OC.[Fe] |
ORIGINAL ISOLATION REFERENCE
| CITATION | Yin WB; Baccile JA; Bok JW; Chen Y; Keller NP; Schroeder FC A nonribosomal peptide synthetase-derived iron(III) complex from the pathogenic fungus Aspergillus fumigatus. Journal of the American Chemical Society 2013 135 (6) 2064-2067. | ||
|---|---|---|---|
| DOI | 10.1021/ja311145n | PMID | 23360537 |
