Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA026850
PROPERTIES
| NPAID | NPA026850 |
|---|---|
| CLUSTER ID | 8127 |
| NODE ID | 5522 |
| NAME | Leptazoline B |
| FORMULA | C16H21ClN2O7 |
| MOLECULAR WEIGHT (Da) | 388.8040 |
| ACCURATE MASS (Da) | 388.1037 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Leptolyngbya |
| ORIGIN SPECIES | sp. |
| InChIKey | DQWZJXAZNNVHLN-DUDQEUOJSA-N |
| InChI | InChI=1S/C16H21ClN2O7/c1-7-12(13(23)14(24)15(25)18-9(5-20)6-21)19-16(26-7)10-4-8(17)2-3-11(10)22/h2-4,7,9,12-14,20-24H,5-6H2,1H3,(H,18,25)/t7-,12+,13-,14-/m1/s1 |
| SMILES | C[C@H]1OC(C2=C(O)C=CC(Cl)=C2)=N[C@@H]1[C@@H](O)[C@@H](O)C(=O)NC(CO)CO |
ORIGINAL ISOLATION REFERENCE
| CITATION | Bhandari Neupane, Jayanti; Neupane, Ram P.; Luo, Yuheng; Yoshida, Wesley Y.; Sun, Rui; Williams, Philip G. Characterization of Leptazolines A-D, Polar Oxazolines from the Cyanobacterium Leptolyngbya sp., Reveals a Glitch with the "willoughby-Hoye" Scripts for Calculating NMR Chemical Shifts Organic Letters 2019 21 (20) 8449-8453. | ||
|---|---|---|---|
| DOI | 10.1021/acs.orglett.9b03216 | PMID | 31591889 |
