Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA003626
PROPERTIES
| NPAID | NPA003626 |
|---|---|
| CLUSTER ID | 892 |
| NODE ID | 773 |
| NAME | ECO-02301 |
| FORMULA | C70H108N2O20 |
| MOLECULAR WEIGHT (Da) | 1297.6280 |
| ACCURATE MASS (Da) | 1296.7495 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | aizunensis NRRL B-11277 |
| InChIKey | NLVFTSADLUSKGV-PJVYZREHSA-N |
| InChI | InChI=1S/C70H108N2O20/c1-46(27-20-16-12-8-5-6-11-15-19-23-35-64(86)72-65-60(83)36-37-61(65)84)66(87)48(3)59(82)33-21-17-13-9-7-10-14-18-22-34-63(92-70-69(90)68(89)67(88)49(4)91-70)47(2)62(85)45-58(81)44-57(80)42-53(76)31-25-30-52(75)41-56(79)43-55(78)40-51(74)29-24-28-50(73)39-54(77)32-26-38-71/h5-11,13-15,17-25,27,29,31,33,35,46-59,63,66-70,73-83,87-90H,12,16,26,28,30,32,34,36-45,71H2,1-4H3,(H,72,86)/b8-5+,9-7+,11-6+,14-10+,17-13+,19-15+,22-18+,27-20+,29-24+,31-25+,33-21+,35-23+/t46-,47?,48+,49?,50?,51?,52?,53?,54?,55?,56?,57?,58?,59?,63?,66?,67?,68?,69?,70?/m1/s1 |
| SMILES | CC1C(C(C(C(O1)OC(C/C=C/C=C/C=C/C=C/C=C/C([C@H](C)C([C@H](C)/C=C/CC/C=C/C=C/C=C/C=C/C(=O)NC2=C(CCC2=O)O)O)O)C(C)C(=O)CC(CC(CC(/C=C/CC(CC(CC(CC(/C=C/CC(CC(CCCN)O)O)O)O)O)O)O)O)O)O)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | McAlpine, James B.; Bachmann, Brian O.; Piraee, Mahmood; Tremblay, Steve; Alarco, Anne-Marie; Zazopoulos, Emmanuel; Farnet, Chris M. Microbial Genomics as a Guide to Drug Discovery and Structural Elucidation: ECO-02301, a Novel Antifungal Agent, as an Example† Journal of Natural Products 2005 68 (4) 493-496. | ||
|---|---|---|---|
| DOI | 10.1021/np0401664 | PMID | 15844935 |
