Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA001408
PROPERTIES
| NPAID | NPA001408 |
|---|---|
| CLUSTER ID | 922 |
| NODE ID | 797 |
| NAME | Sequoiatone B |
| FORMULA | C22H30O5 |
| MOLECULAR WEIGHT (Da) | 374.4770 |
| ACCURATE MASS (Da) | 374.2093 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | parasiticus |
| InChIKey | AZRKTTNHSKOLMR-ZFKUNJMVSA-N |
| InChI | InChI=1S/C22H30O5/c1-6-7-8-9-10-14(2)19(23)12-17-20(21(24)26-5)16-11-15(3)27-13-18(16)22(17,4)25/h11-14,25H,6-10H2,1-5H3/b17-12-/t14-,22+/m1/s1 |
| SMILES | CCCCCC[C@@H](C)C(=O)/C=C\1/C(=C2C=C(OC=C2[C@@]1(C)O)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 |
