Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00006126983 | Gold | 3 |
| CCMSLIB00012102871 | Gold | 4 |
| CCMSLIB00009942668 | Gold | 4 |
COMPOUND NPA006274
PROPERTIES
| NPAID | NPA006274 |
|---|---|
| CLUSTER ID | 2941 |
| NODE ID | 433 |
| NAME | Austinoneol |
| FORMULA | C24H30O6 |
| MOLECULAR WEIGHT (Da) | 414.4980 |
| ACCURATE MASS (Da) | 414.2042 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | sp. |
| InChIKey | RVCGYSNUNXICAF-BFYKDQAASA-N |
| InChI | InChI=1S/C24H30O6/c1-13-15-12-21(5)14(2)24(19(28)29-7,18(27)17(21)26)22(15,6)10-11-23(13)9-8-16(25)30-20(23,3)4/h8-9,17,26H,2,10-12H2,1,3-7H3/t17-,21+,22-,23-,24-/m1/s1 |
| SMILES | CC1=C2C[C@@]3([C@@H](C(=O)[C@@](C3=C)([C@@]2(CC[C@]14C=CC(=O)OC4(C)C)C)C(=O)OC)O)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Santos, Regina M. Geris dos; Rodrigues-Filho, Edson Structures of meroterpenes produced by Penicillium sp, an endophytic fungus found associated with Melia azedarach Journal of the Brazilian Chemical Society 2003 14 (5) 722-727. | ||
|---|---|---|---|
| DOI | 10.1590/s0103-50532003000500004 | PMID | - |
