Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA031297
PROPERTIES
| NPAID | NPA031297 |
|---|---|
| CLUSTER ID | 9114 |
| NODE ID | 446 |
| NAME | Pentalenic acid |
| FORMULA | C15H22O3 |
| MOLECULAR WEIGHT (Da) | 250.3380 |
| ACCURATE MASS (Da) | 250.1569 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sp. |
| InChIKey | WBLTVUMJMJIOGQ-YCGCYHNXSA-N |
| InChI | InChI=1S/C15H22O3/c1-8-4-5-10-9(13(17)18)6-11-12(16)14(2,3)7-15(8,10)11/h6,8,10-12,16H,4-5,7H2,1-3H3,(H,17,18)/t8-,10+,11-,12-,15+/m1/s1 |
| SMILES | C[C@@H]1CC[C@H]2C(C(=O)O)=C[C@@H]3[C@@H](O)C(C)(C)C[C@]312 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Haruo Seto, Tōru Sasaki, Jun Uzawa, Setsuo Takeuchi, Hiroshi Yonehara Studies on the biosynthesis of pentalenolactone, part II isolation of pentalehic acid and pentalenolactone H Tetrahedron Letters 1978 19 (45) 4411-4412. | ||
|---|---|---|---|
| DOI | 10.1016/S0040-4039(01)95238-4 | PMID | - |
