Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA032433
PROPERTIES
| NPAID | NPA032433 |
|---|---|
| CLUSTER ID | 151 |
| NODE ID | 143 |
| NAME | Not named |
| FORMULA | C18H30O3 |
| MOLECULAR WEIGHT (Da) | 294.4350 |
| ACCURATE MASS (Da) | 294.2195 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Pseudanabaena |
| ORIGIN SPECIES | sp. |
| InChIKey | FYPCNVCBWHQKJO-VMEIHUARSA-N |
| InChI | InChI=1S/C18H30O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h12,15,17,19H,2-6,8,10-11,13-14,16H2,1H3,(H,20,21)/b15-12+/t17-/m0/s1 |
| SMILES | CCCCC[C@H](O)/C=C/C#CCCCCCCCC(=O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Roulland, Emmanuel; Solanki, Hiren; Calabro, Kevin; Zubia, Mayalen; Genta-Jouve, Grégory; Thomas, Olivier P. Stereochemical Study of Puna'auic Acid, an Allenic Fatty Acid from the Eastern Indo-Pacific Cyanobacterium Pseudanabaena sp Organic Letters 2018 20 (8) 2311-2314. | ||
|---|---|---|---|
| DOI | 10.1021/acs.orglett.8b00654 | PMID | 29595272 |
