Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA009926
PROPERTIES
| NPAID | NPA009926 |
|---|---|
| CLUSTER ID | 31 |
| NODE ID | 30 |
| NAME | Pyrrospirone B |
| FORMULA | C31H39NO5 |
| MOLECULAR WEIGHT (Da) | 505.6550 |
| ACCURATE MASS (Da) | 505.2828 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Neonectria |
| ORIGIN SPECIES | ramulariae |
| InChIKey | HECJLRHOFZNKOS-ZAYAPDTBSA-N |
| InChI | InChI=1S/C31H39NO5/c1-15-9-16(2)25-26-23-22-20(10-17(3)24(23)29(25,4)11-15)21(33)13-30(27(22)34)14-31(36,32-28(30)35)12-18-5-7-19(37-26)8-6-18/h5-8,10,15-16,20-26,33,36H,9,11-14H2,1-4H3,(H,32,35)/t15-,16+,20-,21+,22+,23-,24-,25+,26+,29+,30+,31-/m1/s1 |
| SMILES | C[C@@H]1C[C@@H]([C@H]2[C@@H]3[C@@H]4[C@@H]5[C@H](C=C([C@H]4[C@@]2(C1)C)C)[C@H](C[C@@]6(C5=O)C[C@](CC7=CC=C(O3)C=C7)(NC6=O)O)O)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Shiono, Yoshihito; Shimanuki, Keiko; Hiramatsu, Fuminori; Koseki, Takuya; Tetsuya, Murayama; Fujisawa, Nozomi; Kimura, Ken-ichi Pyrrospirones A and B, apoptosis inducers in HL-60 cells, from an endophytic fungus, Neonectria ramulariae Wollenw KS-246 Bioorganic and Medicinal Chemistry Letters 2008 18 (23) 6050-6053. | ||
|---|---|---|---|
| DOI | 10.1016/j.bmcl.2008.10.032 | PMID | 18952424 |
