Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA004271
PROPERTIES
| NPAID | NPA004271 |
|---|---|
| CLUSTER ID | 1003 |
| NODE ID | 865 |
| NAME | Roseopurpurin A |
| FORMULA | C18H22O8 |
| MOLECULAR WEIGHT (Da) | 366.3660 |
| ACCURATE MASS (Da) | 366.1315 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | roseopurpureum (CMB-MF038) |
| InChIKey | OFAIPEZAGBTTCZ-RYRKJORJSA-N |
| InChI | InChI=1S/C18H22O8/c1-7-6-10(19)8(2)14(11(7)17(23)24)26-16-13(21)9(3)12(20)15(22)18(16,4)25-5/h6,15-16,19-20,22H,1-5H3,(H,23,24)/t15-,16+,18+/m1/s1 |
| SMILES | CC1=CC(=C(C(=C1C(=O)O)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 |
