Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA011040
PROPERTIES
| NPAID | NPA011040 |
|---|---|
| CLUSTER ID | 46 |
| NODE ID | 11 |
| NAME | (1'S)-6-O-methyl-7-bromoaverantin |
| FORMULA | C21H21BrO7 |
| MOLECULAR WEIGHT (Da) | 465.2960 |
| ACCURATE MASS (Da) | 464.0471 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | sp. SCSIO F063 |
| InChIKey | RHHQHEIDMUXSJH-NSHDSACASA-N |
| InChI | InChI=1S/C21H21BrO7/c1-3-4-5-6-11(23)16-12(24)7-9-14(20(16)27)19(26)15-10(18(9)25)8-13(29-2)17(22)21(15)28/h7-8,11,23-24,27-28H,3-6H2,1-2H3/t11-/m0/s1 |
| SMILES | CCCCC[C@@H](C1=C(C=C2C(=C1O)C(=O)C3=C(C(=C(C=C3C2=O)OC)Br)O)O)O |
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 |
