Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA029004
PROPERTIES
| NPAID | NPA029004 |
|---|---|
| CLUSTER ID | 8580 |
| NODE ID | 5809 |
| NAME | Microtermolide B |
| FORMULA | C22H35N3O7 |
| MOLECULAR WEIGHT (Da) | 453.5360 |
| ACCURATE MASS (Da) | 453.2475 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sp. |
| InChIKey | KFOVZWSWKKYISY-OTHBQJJGSA-N |
| InChI | InChI=1S/C22H35N3O7/c1-6-7-13(4)19(15-10-11-31-21(15)29)32-22(30)18(12(2)3)25-20(28)14(5)24-17(27)9-8-16(23)26/h8-9,12-15,18-19H,6-7,10-11H2,1-5H3,(H2,23,26)(H,24,27)(H,25,28)/b9-8+/t13-,14-,15+,18+,19+/m0/s1 |
| SMILES | CCC[C@H](C)[C@@H](OC(=O)[C@H](NC(=O)[C@H](C)NC(=O)/C=C/C(N)=O)C(C)C)[C@H]1CCOC1=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Carr G; Poulsen M; Klassen JL; Hou Y; Wyche TP; Bugni TS; Currie CR; Clardy J Microtermolides A and B from termite-associated Streptomyces sp. and structural revision of vinylamycin. Organic Letters 2012 14 (11) 2822-2825. | ||
|---|---|---|---|
| DOI | 10.1021/ol301043p | PMID | 22591554 |
REVISIONS
| VERSION | SMILES | CITATION | ||
|---|---|---|---|---|
| Original Isolation | CCC[C@@H](C)[C@@H](OC(=O)[C@H](NC(=O)[C@H](C)NC(=O)/C=C/C(N)=O)C(C)C)[C@H]1CCOC1=O | Carr G; Poulsen M; Klassen JL; Hou Y; Wyche TP; Bugni TS; Currie CR; Clardy J Microtermolides A and B from termite-associated Streptomyces sp. and structural revision of vinylamycin. Organic Letters 2012 14 (11) 2822-2825. DOI: 10.1021/ol301043p PMID: 22591554 | ||
| 2 | CCC[C@H](C)[C@@H](OC(=O)[C@H](NC(=O)[C@H](C)NC(=O)/C=C/C(N)=O)C(C)C)[C@H]1CCOC1=O | Yang, Zhantao; Ma, Meiyan; Yang, Chun-Hua; Gao, Yuan; Zhang, Quan; Chen, Yue Determination of the Absolute Configurations of Microtermolides A and B. Journal of Natural Products 2016 79 (9) 2408-12. DOI: 10.1021/acs.jnatprod.5b01143 PMID: 27579840 | ||
