Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA012927
PROPERTIES
| NPAID | NPA012927 |
|---|---|
| CLUSTER ID | 1709 |
| NODE ID | 1394 |
| NAME | FD-895 |
| FORMULA | C31H50O9 |
| MOLECULAR WEIGHT (Da) | 566.7320 |
| ACCURATE MASS (Da) | 566.3455 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | hygroscopicus A-9561 |
| InChIKey | LDCZLUDGHYDTHV-GNMWXTAOSA-N |
| InChI | InChI=1S/C31H50O9/c1-9-24(37-8)21(5)29-30(40-29)27(35)18(2)11-10-12-19(3)28-20(4)13-14-25(38-22(6)32)31(7,36)16-15-23(33)17-26(34)39-28/h10-14,18,20-21,23-25,27-30,33,35-36H,9,15-17H2,1-8H3/b11-10+,14-13+,19-12+/t18-,20+,21+,23-,24+,25+,27-,28-,29+,30-,31-/m1/s1 |
| SMILES | CC[C@H](OC)[C@H](C)[C@@H]1O[C@@H]1[C@H](O)[C@H](C)/C=C/C=C(\C)[C@H]1OC(=O)C[C@H](O)CC[C@@](C)(O)[C@@H](OC(C)=O)/C=C/[C@@H]1C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Seki-Asano; Okazaki; Yamagishi; Sakai; Takayama; Hanada; Morimoto; Takatsuki; Mizoue Isolation and characterization of a new 12-membered macrolide FD-895 Journal of Antibiotics 1994 47 (12) 1395-1401. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.47.1395 | PMID | 7844034 |
SYNTHESES
| CITATION 1 | Villa R; Mandel AL; Jones BD; La Clair JJ; Burkart MD Structure of FD-895 revealed through total synthesis. Organic Letters 2012 14 (21) 5396-5399. DOI: 10.1021/ol3023006 PMID: 23072504 | ||
|---|---|---|---|
REVISIONS
| VERSION | SMILES | CITATION | ||
|---|---|---|---|---|
| Original Isolation | CCC(C(C)C1C(O1)C(C(C)/C=C/C=C(\C)/C2C(/C=C/C(C(CCC(CC(=O)O2)O)(C)O)OC(=O)C)C)O)OC | Seki-Asano; Okazaki; Yamagishi; Sakai; Takayama; Hanada; Morimoto; Takatsuki; Mizoue Isolation and characterization of a new 12-membered macrolide FD-895 Journal of Antibiotics 1994 47 (12) 1395-1401. DOI: 10.7164/antibiotics.47.1395 PMID: 7844034 | ||
| 2 | CC[C@H](OC)[C@H](C)[C@@H]1O[C@@H]1[C@H](O)[C@H](C)/C=C/C=C(\C)[C@H]1OC(=O)C[C@H](O)CC[C@@](C)(O)[C@@H](OC(C)=O)/C=C/[C@@H]1C | Villa R; Mandel AL; Jones BD; La Clair JJ; Burkart MD Structure of FD-895 revealed through total synthesis. Organic Letters 2012 14 (21) 5396-5399. DOI: 10.1021/ol3023006 PMID: 23072504 | ||
