Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA012278
PROPERTIES
| NPAID | NPA012278 |
|---|---|
| CLUSTER ID | 4634 |
| NODE ID | 3374 |
| NAME | Cytosporacin |
| FORMULA | C30H28O11 |
| MOLECULAR WEIGHT (Da) | 564.5430 |
| ACCURATE MASS (Da) | 564.1632 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Cytospora |
| ORIGIN SPECIES | rhizophorae |
| InChIKey | LWFDDAXTZRKOQW-CLOONOSVSA-N |
| InChI | InChI=1S/C30H28O11/c1-3-4-5-6-7-8-19-22-14(10-18(33)26(35)28(22)37)23(29(38)41-19)20-13-9-15-24(30(39)40-12(2)25(15)34)27(36)21(13)17(32)11-16(20)31/h9-11,19,25,32-37H,2-8H2,1H3/t19-,25+/m1/s1 |
| SMILES | CCCCCCC[C@@H]1C2=C(C(=C(C=C2C(=C3C4=CC5=C(C(=C4C(=CC3=O)O)O)C(=O)OC(=C)[C@@H]5O)C(=O)O1)O)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | He, Haiyin; Janso, Jeffrey E.; Williamson, R. Thomas; Yang, Hui Y.; Carter, Guy T. Cytosporacin, a highly unsaturated polyketide: Application of the ACCORD-ADEQUATE experiment to the structural determination of natural products Journal of Organic Chemistry 2003 68 (16) 6079-6082. | ||
|---|---|---|---|
| DOI | 10.1021/jo030067f | PMID | 12895035 |
