Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA025250
PROPERTIES
| NPAID | NPA025250 |
|---|---|
| CLUSTER ID | 7666 |
| NODE ID | 2993 |
| NAME | Baraphenazine G |
| FORMULA | C25H16N4O6 |
| MOLECULAR WEIGHT (Da) | 468.4250 |
| ACCURATE MASS (Da) | 468.1070 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sp. PU-10A |
| InChIKey | HKRRCYVJEANXQV-REFGNXHDSA-N |
| InChI | InChI=1S/C25H16N4O6/c30-15-5-2-4-13-20(15)28-22-18-10-7-14-23(29-21-12(26-14)3-1-6-16(21)31)25(34,9-10)35-17(18)8-11(24(32)33)19(22)27-13/h1-6,8,10,30-31,34H,7,9H2,(H,32,33)/t10-,25-/m1/s1 |
| SMILES | O=C(O)C1=CC2=C(C3=NC4=C(C=CC=C4O)N=C13)[C@@H]1CC3=NC4=C(N=C3[C@@](O)(C1)O2)C(O)=CC=C4 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Wang X; Abbas M; Zhang Y; Elshahawi SI; Ponomareva LV; Cui Z; Van Lanen SG; Sajid I; Voss SR; Shaaban KA; Thorson JS Baraphenazines A-G, Divergent Fused Phenazine-Based Metabolites from a Himalayan Streptomyces. Journal of Natural Products 2019 82 (6) 1686-1693. | ||
|---|---|---|---|
| DOI | 10.1021/acs.jnatprod.9b00289 | PMID | 31117525 |
REVISIONS
| VERSION | SMILES | CITATION | ||
|---|---|---|---|---|
| Original Isolation | C1[C@@H]2C[C@](C3=NC4=C(C=CC=C4O)N=C31)(OC5=C2C6=NC7=C(C(=CC=C7)O)N=C6C(=C5)C(=O)O)O | Wang X; Abbas M; Zhang Y; Elshahawi SI; Ponomareva LV; Cui Z; Van Lanen SG; Sajid I; Voss SR; Shaaban KA; Thorson JS Baraphenazines A-G, Divergent Fused Phenazine-Based Metabolites from a Himalayan Streptomyces. Journal of Natural Products 2019 82 (6) 1686-1693. DOI: 10.1021/acs.jnatprod.9b00289 PMID: 31117525 | ||
| 2 | O=C(O)C1=CC2=C(C3=NC4=C(C=CC=C4O)N=C13)[C@@H]1CC3=NC4=C(N=C3[C@@](O)(C1)O2)C(O)=CC=C4 | Zhuang, Yihao; Yang, Fei; Menon, Arya; Song, James M; Espinoza, Rosa V; Schultz, Pamela J; Garner, Amanda L; Tripathi, Ashootosh An ECD and NMR/DP4+ Computational Pipeline for Structure Revision and Elucidation of Diphenazine-Based Natural Products. Journal of Natural Products 2023 86 (7) 1801-1814. DOI: 10.1021/acs.jnatprod.3c00306 PMID: 37463274 | ||
