Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA018970
PROPERTIES
| NPAID | NPA018970 |
|---|---|
| CLUSTER ID | 46 |
| NODE ID | 11 |
| NAME | (1'S)-7-chloroaverantin-1'-butyl ether |
| FORMULA | C24H27ClO7 |
| MOLECULAR WEIGHT (Da) | 462.9260 |
| ACCURATE MASS (Da) | 462.1445 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | sp. SCSIO F063 |
| InChIKey | RUYISUBUASQYBJ-INIZCTEOSA-N |
| InChI | InChI=1S/C24H27ClO7/c1-3-5-7-8-16(32-9-6-4-2)19-14(26)10-12-17(23(19)30)22(29)18-13(21(12)28)11-15(27)20(25)24(18)31/h10-11,16,26-27,30-31H,3-9H2,1-2H3/t16-/m0/s1 |
| SMILES | CCCCC[C@@H](C1=C(C=C2C(=C1O)C(=O)C3=C(C(=C(C=C3C2=O)O)Cl)O)O)OCCCC |
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 |
