Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA012099
PROPERTIES
| NPAID | NPA012099 |
|---|---|
| CLUSTER ID | 46 |
| NODE ID | 11 |
| NAME | (1'S)-6,1'-O,O-dimethyl-7-bromoaverantin |
| FORMULA | C22H23BrO7 |
| MOLECULAR WEIGHT (Da) | 479.3230 |
| ACCURATE MASS (Da) | 478.0627 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | sp. SCSIO F063 |
| InChIKey | UVVVGQUPTFFAPV-ZDUSSCGKSA-N |
| InChI | InChI=1S/C22H23BrO7/c1-4-5-6-7-13(29-2)17-12(24)8-10-15(21(17)27)20(26)16-11(19(10)25)9-14(30-3)18(23)22(16)28/h8-9,13,24,27-28H,4-7H2,1-3H3/t13-/m0/s1 |
| SMILES | CCCCC[C@@H](C1=C(C=C2C(=C1O)C(=O)C3=C(C(=C(C=C3C2=O)OC)Br)O)O)OC |
ORIGINAL ISOLATION REFERENCE
| CITATION | Huang, Hongbo; Wang, Fazuo; Luo, Minghe; Chen, Yuchan; Song, Yongxiang; Zhang, Weimin; Zhang, Si; Ju, Jianhua Halogenated Anthraquinones from the Marine-Derived Fungus Aspergillus sp. SCSIO F063 Journal of Natural Products 2012 75 (7) 1346-1352. | ||
|---|---|---|---|
| DOI | 10.1021/np3002699 | PMID | 22703109 |
