Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA013822
PROPERTIES
| NPAID | NPA013822 |
|---|---|
| CLUSTER ID | 57 |
| NODE ID | 53 |
| NAME | 21-O-deacetyl-L-696474 |
| FORMULA | C28H37NO3 |
| MOLECULAR WEIGHT (Da) | 435.6080 |
| ACCURATE MASS (Da) | 435.2773 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Phomopsis |
| ORIGIN SPECIES | sp. strain No. 5049 |
| InChIKey | CZWPJPMFISENGB-HKYAKYBVSA-N |
| InChI | InChI=1S/C28H37NO3/c1-17-9-8-12-22-26(31)20(4)19(3)25-23(16-21-10-6-5-7-11-21)29-27(32)28(22,25)24(30)14-13-18(2)15-17/h5-8,10-14,17-19,22-26,30-31H,4,9,15-16H2,1-3H3,(H,29,32)/b12-8-,14-13-/t17-,18+,19+,22-,23-,24+,25-,26+,28+/m0/s1 |
| SMILES | C[C@H]1C/C=C\[C@H]2[C@@H](C(=C)[C@H]([C@@H]3[C@@]2([C@@H](/C=C\[C@H](C1)C)O)C(=O)N[C@H]3CC4=CC=CC=C4)C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Elsässer, Brigitta; Krohn, Karsten; Flörke, Ulrich; Root, Natalia; Aust, Hans-Jürgen; Draeger, Siegfried; Schulz, Barbara; Antus, Sándor; Kurtán, Tibor X-ray Structure Determination, Absolute Configuration and Biological Activity of Phomoxanthone A European Journal of Organic Chemistry 2005 2005 (21) 4563-4570. | ||
|---|---|---|---|
| DOI | 10.1002/ejoc.200500265 | PMID | - |
