Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA022342
PROPERTIES
| NPAID | NPA022342 |
|---|---|
| CLUSTER ID | 46 |
| NODE ID | 11 |
| NAME | Emodacidamide E |
| FORMULA | C21H19NO8 |
| MOLECULAR WEIGHT (Da) | 413.3820 |
| ACCURATE MASS (Da) | 413.1111 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | sp. SCSIO sof101 |
| InChIKey | UVFFSOBWYUVHFJ-QPFGOUBPSA-N |
| InChI | InChI=1S/C21H19NO8/c1-3-8(2)17(21(29)30)22-20(28)9-4-11-15(13(24)5-9)19(27)16-12(18(11)26)6-10(23)7-14(16)25/h4-8,17,23-25H,3H2,1-2H3,(H,22,28)(H,29,30)/t8-,17-/m0/s1 |
| SMILES | CC[C@H](C)[C@@H](C(=O)O)NC(=O)C1=CC(=C2C(=C1)C(=O)C3=CC(=CC(=C3C2=O)O)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 |
