Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000848086 | Gold | 1!CCMSLIB00000848087 |
| CCMSLIB00005721315 | Gold | 3 |
| CCMSLIB00005721316 | Gold | 3 |
| CCMSLIB00012130633 | Gold | 4 |
| CCMSLIB00009970430 | Gold | 4 |
COMPOUND NPA002499
PROPERTIES
| NPAID | NPA002499 |
|---|---|
| CLUSTER ID | 1003 |
| NODE ID | 865 |
| NAME | Roseopurpurin B |
| FORMULA | C19H24O8 |
| MOLECULAR WEIGHT (Da) | 380.3930 |
| ACCURATE MASS (Da) | 380.1471 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | roseopurpureum (CMB-MF038) |
| InChIKey | GJGRGJCMJUMZKN-AOIWGVFYSA-N |
| InChI | InChI=1S/C19H24O8/c1-8-7-11(20)9(2)15(12(8)18(24)25-5)27-17-14(22)10(3)13(21)16(23)19(17,4)26-6/h7,16-17,20-21,23H,1-6H3/t16-,17+,19+/m1/s1 |
| SMILES | CC1=CC(=C(C(=C1C(=O)OC)O[C@H]2C(=O)C(=C([C@H]([C@]2(C)OC)O)O)C)C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Shang, Zhuo; Khalil, Zeinab; Li, Li; Salim, Angela A.; Quezada, Michelle; Kalansuriya, Pabasara; Capon, Robert J. Roseopurpurins: Chemical Diversity Enhanced by Convergent Biosynthesis and Forward and Reverse Michael Additions Organic Letters 2016 18 (17) 4340-4343. | ||
|---|---|---|---|
| DOI | 10.1021/acs.orglett.6b02099 | PMID | 27537356 |
