Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA017811
PROPERTIES
| NPAID | NPA017811 |
|---|---|
| CLUSTER ID | 3195 |
| NODE ID | 865 |
| NAME | Roseopurpurin D |
| FORMULA | C18H20O7 |
| MOLECULAR WEIGHT (Da) | 348.3510 |
| ACCURATE MASS (Da) | 348.1209 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | roseopurpureum (CMB-MF038) |
| InChIKey | KMXWTZIYEQGIFH-BQFCYCMXSA-N |
| InChI | InChI=1S/C18H20O7/c1-7-6-10(19)8(2)13-11(7)17(22)25-14-9(3)12(20)15(21)18(4,23-5)16(14)24-13/h6,15-16,19,21H,1-5H3/t15-,16-,18-/m0/s1 |
| SMILES | CC1=CC(=C(C2=C1C(=O)OC3=C(C(=O)[C@@H]([C@]([C@H]3O2)(C)OC)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 |
