Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA001602
PROPERTIES
| NPAID | NPA001602 |
|---|---|
| CLUSTER ID | 1035 |
| NODE ID | 892 |
| NAME | Spectinabilin |
| FORMULA | C28H31NO6 |
| MOLECULAR WEIGHT (Da) | 477.5570 |
| ACCURATE MASS (Da) | 477.2151 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | spectabilis |
| InChIKey | IZICQJAGBLBAMJ-MNOZRKQQSA-N |
| InChI | InChI=1S/C28H31NO6/c1-17(11-18(2)13-22-7-9-24(10-8-22)29(31)32)12-19(3)14-23-15-25(34-16-23)27-20(4)26(30)21(5)28(33-6)35-27/h7-14,25H,15-16H2,1-6H3/b17-11+,18-13+,19-12+,23-14- |
| SMILES | CC1=C(OC(=C(C1=O)C)OC)C2C/C(=C/C(=C/C(=C/C(=C/C3=CC=C(C=C3)[N+](=O)[O-])/C)/C)/C)/CO2 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Kakinuma, K; Hanson, CA; Rinehart Jr, KL Spectinabilin, a new nitro-containing metabolite isolated from Streptomyces spectabilis Tetrahedron 1976 32 (2) 217-222. | ||
|---|---|---|---|
| DOI | 10.1016/0040-4020(76)87004-4 | PMID | - |
SYNTHESES
| CITATION 1 | Jacobsen MF; Moses JE; Adlington RM; Baldwin JE The total synthesis of spectinabilin and its biomimetic conversion to SNF4435C and SNF4435D. Organic Letters 2005 7 (12) 2473-2476. DOI: 10.1021/ol0507874 PMID: 15932226 | ||
|---|---|---|---|
