Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA009134
PROPERTIES
| NPAID | NPA009134 |
|---|---|
| CLUSTER ID | 3821 |
| NODE ID | 2863 |
| NAME | Aspergilone A |
| FORMULA | C26H26O3 |
| MOLECULAR WEIGHT (Da) | 386.4910 |
| ACCURATE MASS (Da) | 386.1882 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | sp. |
| InChIKey | SURSMSCPWPKKAE-HKUYNNGSSA-N |
| InChI | InChI=1S/C26H26O3/c1-17-19(3)29-16-22-23(17)18(2)24(27)26(25(22)28,14-20-10-6-4-7-11-20)15-21-12-8-5-9-13-21/h4-13,16-17,19H,14-15H2,1-3H3/t17-,19-/m0/s1 |
| SMILES | C[C@H]1[C@@H](OC=C2C1=C(C(=O)C(C2=O)(CC3=CC=CC=C3)CC4=CC=CC=C4)C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Shao, Chang-Lun; Wang, Chang-Yun; Wei, Mei-Yan; Gu, Yu-Cheng; She, Zhi-Gang; Qian, Pei-Yuan; Lin, Yong-Cheng Aspergilones A and B, two benzylazaphilones with an unprecedented carbon skeleton from the gorgonian-derived fungus Aspergillus sp Bioorganic and Medicinal Chemistry Letters 2011 21 (2) 690-693. | ||
|---|---|---|---|
| DOI | 10.1016/j.bmcl.2010.12.005 | PMID | 21194945 |
