Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA015412
PROPERTIES
| NPAID | NPA015412 |
|---|---|
| CLUSTER ID | 2721 |
| NODE ID | 2103 |
| NAME | Sequoiatone A |
| FORMULA | C23H30O6 |
| MOLECULAR WEIGHT (Da) | 402.4870 |
| ACCURATE MASS (Da) | 402.2042 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | parasiticus |
| InChIKey | UMDDQZKJZQPILY-LZDDTZTRSA-N |
| InChI | InChI=1S/C23H30O6/c1-6-7-8-9-10-13(2)20(24)18-19-17(21(25)27-5)15-11-14(3)28-12-16(15)23(19,4)29-22(18)26/h11,13,16H,6-10,12H2,1-5H3/t13-,16+,23-/m0/s1 |
| SMILES | CCCCCC[C@H](C)C(=O)C1=C2C(=C3C=C(OC[C@H]3[C@@]2(OC1=O)C)C)C(=O)OC |
ORIGINAL ISOLATION REFERENCE
| CITATION | Stierle, Andrea A.; Stierle, Donald B.; Bugni, Timothy Sequoiatones A and B: Novel antitumor metabolites isolated from a redwood endophyte Journal of Organic Chemistry 1999 64 (15) 5479-5484. | ||
|---|---|---|---|
| DOI | 10.1021/jo990277l | PMID | 11674610 |
