Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA022339
PROPERTIES
| NPAID | NPA022339 |
|---|---|
| CLUSTER ID | 46 |
| NODE ID | 11 |
| NAME | Emodacidamide B |
| FORMULA | C20H17NO8 |
| MOLECULAR WEIGHT (Da) | 399.3550 |
| ACCURATE MASS (Da) | 399.0954 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | sp. SCSIO sof101 |
| InChIKey | UCVOTAWBWPEXMD-INIZCTEOSA-N |
| InChI | InChI=1S/C20H17NO8/c1-7(2)16(20(28)29)21-19(27)8-3-10-14(12(23)4-8)18(26)15-11(17(10)25)5-9(22)6-13(15)24/h3-7,16,22-24H,1-2H3,(H,21,27)(H,28,29)/t16-/m0/s1 |
| SMILES | CC(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 |
