Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00004689515 | Bronze | (1R,4aR,6aR,7S)-1-hydroxy-1-(hydroxymethyl)-7,8-dimethyl-2-oxo-4,4a,6a,7-tetrahydropentaleno[1,6a-c]pyran-5-carboxylic&acid |
| CCMSLIB00004689516 | Bronze | (1R,4aR,6aR,7S)-1-hydroxy-1-(hydroxymethyl)-7,8-dimethyl-2-oxo-4,4a,6a,7-tetrahydropentaleno[1,6a-c]pyran-5-carboxylic&acid |
| CCMSLIB00000852617 | Gold | 1!CCMSLIB00000850364 |
COMPOUND NPA001309
PROPERTIES
| NPAID | NPA001309 |
|---|---|
| CLUSTER ID | 871 |
| NODE ID | 753 |
| NAME | Pentalenolactone O |
| FORMULA | C15H18O6 |
| MOLECULAR WEIGHT (Da) | 294.3030 |
| ACCURATE MASS (Da) | 294.1103 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | omiyaensis |
| InChIKey | FWDDYLWFBHUEKH-QXGHTHNXSA-N |
| InChI | InChI=1S/C15H18O6/c1-7-4-14-10(8(7)2)3-9(12(17)18)11(14)5-21-13(19)15(14,20)6-16/h3-4,8,10-11,16,20H,5-6H2,1-2H3,(H,17,18)/t8-,10-,11+,14?,15-/m1/s1 |
| SMILES | C[C@H]1[C@H]2C=C([C@H]3C2(C=C1C)[C@](C(=O)OC3)(CO)O)C(=O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Seto, H; Sasaki, T; Yonehara, H; Takahashi, S; Takeuchi, M; Kuwano, H; Arai, M Studies on the biosynthesis of pentalenolactone. VII. Isolation of pentalenolactones P and O Journal of Antibiotics 1984 37 (9) 1076-1078. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.37.1076 | PMID | 6501104 |
