Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA018023
PROPERTIES
| NPAID | NPA018023 |
|---|---|
| CLUSTER ID | 922 |
| NODE ID | 797 |
| NAME | Sequoiatone D |
| FORMULA | C22H30O6 |
| MOLECULAR WEIGHT (Da) | 390.4760 |
| ACCURATE MASS (Da) | 390.2042 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | parasiticus |
| InChIKey | WGHKHGDABDZHGB-JVEVTSHPSA-N |
| InChI | InChI=1S/C22H30O6/c1-14(9-7-5-6-8-10-23)19(24)12-17-20(21(25)27-4)16-11-15(2)28-13-18(16)22(17,3)26/h11-14,23,26H,5-10H2,1-4H3/b17-12+/t14-,22+/m0/s1 |
| SMILES | CC1=CC2=C(/C(=C\C(=O)[C@@H](C)CCCCCCO)/[C@@](C2=CO1)(C)O)C(=O)OC |
ORIGINAL ISOLATION REFERENCE
| CITATION | Stierle; Bugni Sequoiatones C-F, constituents of the redwood endophyte Aspergillus parasiticus Journal of Natural Products 2001 64 (10) 1350-1353. | ||
|---|---|---|---|
| DOI | 10.1021/np010022e | PMID | 11678666 |
