Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA022340
PROPERTIES
| NPAID | NPA022340 |
|---|---|
| CLUSTER ID | 46 |
| NODE ID | 11 |
| NAME | Emodacidamide C |
| FORMULA | C20H16ClNO8 |
| MOLECULAR WEIGHT (Da) | 433.8000 |
| ACCURATE MASS (Da) | 433.0564 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | sp. SCSIO sof101 |
| InChIKey | AVIVKUDKCMVAOA-HNNXBMFYSA-N |
| InChI | InChI=1S/C20H16ClNO8/c1-6(2)15(20(29)30)22-19(28)7-3-8-12(10(23)4-7)17(26)13-9(16(8)25)5-11(24)14(21)18(13)27/h3-6,15,23-24,27H,1-2H3,(H,22,28)(H,29,30)/t15-/m0/s1 |
| SMILES | CC(C)[C@@H](C(=O)O)NC(=O)C1=CC(=C2C(=C1)C(=O)C3=CC(=C(C(=C3C2=O)O)Cl)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Luo, Minghe; Cui, Zhaomeng; Huang, Hongbo; Song, Xianqin; Sun, Aijun; Dang, Yongjun; Lu, Laichun; Ju, Jianhua Amino Acid Conjugated Anthraquinones from the Marine-Derived Fungus Penicillium sp. SCSIO sof101 Journal of Natural Products 2017 80 (5) 1668-1673. | ||
|---|---|---|---|
| DOI | 10.1021/acs.jnatprod.7b00269 | PMID | 28509552 |
