Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA008547
PROPERTIES
| NPAID | NPA008547 |
|---|---|
| CLUSTER ID | 100 |
| NODE ID | 95 |
| NAME | Mycotrienin I |
| FORMULA | C36H48N2O8 |
| MOLECULAR WEIGHT (Da) | 636.7860 |
| ACCURATE MASS (Da) | 636.3411 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | rishiriensis T-23 |
| InChIKey | WWUVMHRJRCRFSL-BKOAXCBTSA-N |
| InChI | InChI=1S/C36H48N2O8/c1-23-14-13-17-27-20-28(39)21-30(34(27)42)38-32(40)22-29(45-4)18-11-6-5-7-12-19-31(24(2)33(23)41)46-36(44)25(3)37-35(43)26-15-9-8-10-16-26/h5-7,11-12,14,18,20-21,24-26,29,31,33,41H,8-10,13,15-17,19,22H2,1-4H3,(H,37,43)(H,38,40)/b6-5+,12-7+,18-11?,23-14- |
| SMILES | CC1C(C/C=C/C=C/C=CC(CC(=O)NC2=CC(=O)C=C(C2=O)CC/C=C(\C1O)/C)OC)OC(=O)C(C)NC(=O)C3CCCCC3 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Sugita, Masanori; SASAKI, TETSUO; FURIHATA, KAZUO; SETO, HARUO; OTAKE, NOBORU Studies on mycotrienin antibiotics, a novel class of ansamycins. II. Structure elucidation and biosynthesis of mycotrienins I and II Journal of Antibiotics 1982 35 (11) 1467-1473. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.35.1467 | PMID | 7161185 |
SYNTHESES
| CITATION 1 | Panek JS; Masse CE Total Synthesis of (+)-Mycotrienol and (+)-Mycotrienin I. Journal of Organic Chemistry 1997 62 (24) 8290-8291. DOI: 10.1021/jo971793j PMID: 11671962 | ||
|---|---|---|---|
