Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA032770
PROPERTIES
| NPAID | NPA032770 |
|---|---|
| CLUSTER ID | 5346 |
| NODE ID | 3805 |
| NAME | Miharamycin B |
| FORMULA | C20H30N10O8 |
| MOLECULAR WEIGHT (Da) | 538.5220 |
| ACCURATE MASS (Da) | 538.2248 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | miharaensis SF-489 |
| InChIKey | JOTXNJQBWBCEHD-RRSOCIHNSA-N |
| InChI | InChI=1S/C20H30N10O8/c21-7(2-1-3-25-18(22)23)15(33)28-10(17(34)35)11-12(32)20(36)9(31)5-37-13(20)16(38-11)30-6-27-8-4-26-19(24)29-14(8)30/h4,6-7,9-13,16,31-32,36H,1-3,5,21H2,(H,28,33)(H,34,35)(H4,22,23,25)(H2,24,26,29)/t7?,9-,10+,11-,12-,13+,16-,20-/m1/s1 |
| SMILES | NC(N)=NCCCC(N)C(=O)N[C@H](C(=O)O)[C@H]1O[C@@H](N2C=NC3=CN=C(N)N=C32)[C@@H]2OC[C@@H](O)[C@@]2(O)[C@@H]1O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Seto, H.; Koyama, M.; Ogino, H.; Tsuruoka, T.; Inouye, S.; Otake, N. The structures of novel nucleoside antibiotics, miharamycin A and miharamycin B Tetrahedron Letters 1983 24 (17) 1805-1808. | ||
|---|---|---|---|
| DOI | 10.1016/s0040-4039(00)81775-x | PMID | - |
REVISIONS
| VERSION | SMILES | CITATION | ||
|---|---|---|---|---|
| Original Isolation | NC(N)=NCCCC(N)C(=O)NC(C(=O)O)C1OC(N2C=NC3=CN=C(N)N=C32)C2OCC(O)C2(O)C1O | Seto, H.; Koyama, M.; Ogino, H.; Tsuruoka, T.; Inouye, S.; Otake, N. The structures of novel nucleoside antibiotics, miharamycin A and miharamycin B Tetrahedron Letters 1983 24 (17) 1805-1808. DOI: 10.1016/s0040-4039(00)81775-x | ||
| 2 | NC(N)=NCCCC(N)C(=O)N[C@H](C(=O)O)[C@H]1O[C@@H](N2C=NC3=CN=C(N)N=C32)[C@@H]2OC[C@@H](O)[C@@]2(O)[C@@H]1O | Wang S; Zhang Q; Zhao Y; Sun J; Kang W; Wang F; Pan H; Tang G; Yu B The Miharamycins and Amipurimycin: their Structural Revision and the Total Synthesis of the Latter. Angewandte Chemie International Edition 2019 58 (31) 10558-10562. DOI: 10.1002/anie.201905723 PMID: 31190371 | ||
