Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA018154
PROPERTIES
| NPAID | NPA018154 |
|---|---|
| CLUSTER ID | 5998 |
| NODE ID | 2592 |
| NAME | Guanacastepene D |
| FORMULA | C22H27NO3 |
| MOLECULAR WEIGHT (Da) | 353.4620 |
| ACCURATE MASS (Da) | 353.1991 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Unknown-fungus |
| ORIGIN SPECIES | sp. cR115 |
| InChIKey | XEMIVKIPBNRHQX-JQOQJDEVSA-N |
| InChI | InChI=1S/C22H27NO3/c1-12(2)14-18(24)19-16-17-15-13(20(25)23(17)10-11-26-19)6-5-7-21(15,3)8-9-22(14,16)4/h6,12,14H,5,7-11H2,1-4H3/t14-,21-,22+/m0/s1 |
| SMILES | CC(C)[C@H]1C(=O)C2=C3[C@@]1(CC[C@@]4(CCC=C5C4=C3N(C5=O)CCO2)C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Brady, Sean F.; Bondi, Shana M.; Clardy, Jon The Guanacastepenes: A Highly Diverse Family of Secondary Metabolites Produced by an Endophytic Fungus Journal of the American Chemical Society 2001 123 (40) 9900-9901. | ||
|---|---|---|---|
| DOI | 10.1021/ja016176y | PMID | 11583556 |
