Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA009821
PROPERTIES
| NPAID | NPA009821 |
|---|---|
| CLUSTER ID | 4019 |
| NODE ID | 2993 |
| NAME | Izumiphenazine A |
| FORMULA | C25H16N4O6 |
| MOLECULAR WEIGHT (Da) | 468.4250 |
| ACCURATE MASS (Da) | 468.1070 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sp. IFM 11204 |
| InChIKey | LUHDREMZHBQHFC-MZSHOYASSA-N |
| InChI | InChI=1S/C25H16N4O6/c30-14-5-1-3-11-19(14)28-21-13(26-11)7-9-17-16(35-24(9)23(21)32)8-10(25(33)34)18-22(17)29-20-12(27-18)4-2-6-15(20)31/h1-6,8-9,23-24,30-32H,7H2,(H,33,34)/t9-,23-,24+/m0/s1 |
| SMILES | O=C(O)C1=CC2=C(C3=NC4=C(C=CC=C4O)N=C13)[C@@H]1CC3=NC4=C(N=C3[C@H](O)[C@@H]1O2)C(O)=CC=C4 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Abdelfattah, Mohamed S.; Kazufumi, Toume; Ishibashi, Masami Izumiphenazines A-C: Isolation and structure elucidation of phenazine derivatives from Streptomyces sp. IFM 11204 Journal of Natural Products 2010 73 (12) 1999-2002. | ||
|---|---|---|---|
| DOI | 10.1021/np100400t | PMID | 21090727 |
REVISIONS
| VERSION | SMILES | CITATION | ||
|---|---|---|---|---|
| Original Isolation | C1[C@@H]2[C@H]([C@@H](C3=NC4=C(C=CC=C4O)N=C31)O)OC5=C2C6=NC7=C(C=CC=C7O)N=C6C(=C5)C(=O)O | Abdelfattah, Mohamed S.; Kazufumi, Toume; Ishibashi, Masami Izumiphenazines A-C: Isolation and structure elucidation of phenazine derivatives from Streptomyces sp. IFM 11204 Journal of Natural Products 2010 73 (12) 1999-2002. DOI: 10.1021/np100400t PMID: 21090727 | ||
| 2 | O=C(O)C1=CC2=C(C3=NC4=C(C=CC=C4O)N=C13)[C@@H]1CC3=NC4=C(N=C3[C@H](O)[C@@H]1O2)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 | ||
