Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA024077
PROPERTIES
| NPAID | NPA024077 |
|---|---|
| CLUSTER ID | 7368 |
| NODE ID | 5045 |
| NAME | Caldorin |
| FORMULA | C19H31NO2 |
| MOLECULAR WEIGHT (Da) | 305.4620 |
| ACCURATE MASS (Da) | 305.2355 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Caldora |
| ORIGIN SPECIES | penicillata |
| InChIKey | PLVLPRNEONNYSF-DWRORGKVSA-N |
| InChI | InChI=1S/C19H31NO2/c1-4-11-19(22)12-9-15-7-5-6-8-16(15)17(19)18(21)20-13-10-14(2)3/h5-6,9,12,14-17,22H,4,7-8,10-11,13H2,1-3H3,(H,20,21)/t15-,16-,17-,19-/m0/s1 |
| SMILES | CCC[C@@]1(C=C[C@@H]2CC=CC[C@@H]2[C@H]1C(=O)NCCC(C)C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Shiota, Ikuma; Iwasaki, Arihiro; Sumimoto, Shimpei; Tomoda, Hiroshi; Suenaga, Kiyotake Caldorin, a new polyketide from the marine cyanobacterium Caldora penicillata Tetrahedron Letters 2018 59 (13) 1261-1263. | ||
|---|---|---|---|
| DOI | 10.1016/j.tetlet.2018.02.046 | PMID | - |
