Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA035976
PROPERTIES
| NPAID | NPA035976 |
|---|---|
| CLUSTER ID | 414 |
| NODE ID | 373 |
| NAME | 12β,13β-Hydroxy-asperfumigatin |
| FORMULA | C27H33N3O7 |
| MOLECULAR WEIGHT (Da) | 511.5750 |
| ACCURATE MASS (Da) | 511.2319 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | fumigatus H22 |
| InChIKey | ZWTKNACGKAVJKO-VQUTZOTJSA-N |
| InChI | InChI=1S/C27H33N3O7/c1-14(2)11-20(31)29-18-12-15(37-5)8-9-16(18)21-22(29)19(13-26(3,4)35)30-24(33)17-7-6-10-28(17)25(34)27(30,36)23(21)32/h8-9,11-12,17,19,23,32,35-36H,6-7,10,13H2,1-5H3/t17-,19-,23+,27-/m0/s1 |
| SMILES | COC1=CC2=C(C=C1)C1=C([C@H](CC(C)(C)O)N3C(=O)[C@@H]4CCCN4C(=O)[C@@]3(O)[C@@H]1O)N2C(=O)C=C(C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Zhang, Rui; Wang, Haifeng; Chen, Baosong; Dai, Huanqin; Sun, Jingzu; Han, Junjie; Liu, Hongwei Discovery of Anti-MRSA Secondary Metabolites from a Marine-Derived Fungus Aspergillus fumigatus. Marine Drugs 2022 20 (5) 302. | ||
|---|---|---|---|
| DOI | 10.3390/md20050302 | PMID | 35621953 |
