Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA003457
PROPERTIES
| NPAID | NPA003457 |
|---|---|
| CLUSTER ID | 1920 |
| NODE ID | 1546 |
| NAME | Benzopyrenomycin |
| FORMULA | C24H20O5 |
| MOLECULAR WEIGHT (Da) | 388.4190 |
| ACCURATE MASS (Da) | 388.1311 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | lavendulae Tu 1668 |
| InChIKey | KJQQRJJQDAYPST-XFNZEKPQSA-N |
| InChI | InChI=1S/C24H20O5/c1-11-9-12-10-16(24(27)29-3)19-13-5-4-6-17(28-2)20(13)23(26)15-8-7-14(22(11)25)18(12)21(15)19/h4-8,10-11,22,25H,9H2,1-3H3/t11-,22+/m1/s1 |
| SMILES | C[C@@H]1CC2=CC(=C3C4=C(C(=CC=C4)OC)C(=O)C5=C3C2=C([C@H]1O)C=C5)C(=O)OC |
ORIGINAL ISOLATION REFERENCE
| CITATION | Huang, Xueshi; He, Jian; Niu, Xuemei; Menzel, Klaus-Dieter; Dahse, Hans-Martin; Grabley, Susanne; Fiedler, Hans-Peter; Sattler, Isabel; Hertweck, Christian Benzopyrenomycin, a cytotoxic bacterial polyketide metabolite with a benzo[a]pyrene-type carbocyclic ring system Angewandte Chemie International Edition 2008 47 (21) 3995-3998. | ||
|---|---|---|---|
| DOI | 10.1002/anie.200800083 | PMID | 18412200 |
