Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA001662
PROPERTIES
| NPAID | NPA001662 |
|---|---|
| CLUSTER ID | 151 |
| NODE ID | 143 |
| NAME | Modiolin |
| FORMULA | C12H20O3 |
| MOLECULAR WEIGHT (Da) | 212.2890 |
| ACCURATE MASS (Da) | 212.1412 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Paraphaeosphaeria |
| ORIGIN SPECIES | sp. (N-119) |
| InChIKey | LTHMZLZFQXPZHS-BTIHDQLTSA-N |
| InChI | InChI=1S/C12H20O3/c1-3-15-12(14)10-8-6-4-5-7-9-11(2)13/h4,6,8,10-11,13H,3,5,7,9H2,1-2H3/b6-4+,10-8-/t11-/m1/s1 |
| SMILES | CCOC(=O)/C=C\C=C\CCC[C@@H](C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Tsuda, Masashi; Mugishima, Takao; Komatsu, Kazusei; Sone, Teruo; Tanaka, Michiko; Mikami, Yuzuru; Kobayashi, Jun'ichi Modiolides A and B, two new 10-membered macrolides from a marine-derived fungus Journal of Natural Products 2003 66 (3) 412-415. | ||
|---|---|---|---|
| DOI | 10.1021/np0203943 | PMID | 12662103 |
