Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA007369
PROPERTIES
| NPAID | NPA007369 |
|---|---|
| CLUSTER ID | 61 |
| NODE ID | 57 |
| NAME | Coniothienol A |
| FORMULA | C16H16O7S |
| MOLECULAR WEIGHT (Da) | 352.3640 |
| ACCURATE MASS (Da) | 352.0617 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Coniochaeta |
| ORIGIN SPECIES | sp. |
| InChIKey | BDYJSOKLOOSSOO-HWPZZCPQSA-N |
| InChI | InChI=1S/C16H16O7S/c1-7-5-8(18)11-9(6-7)23-14-12(13(11)19)16(21,15(20)22-2)10(24-14)3-4-17/h5-6,10,17-18,21H,3-4H2,1-2H3/t10-,16+/m1/s1 |
| SMILES | CC1=CC2=C(C(=C1)O)C(=O)C3=C(O2)S[C@@H]([C@]3(C(=O)OC)O)CCO |
ORIGINAL ISOLATION REFERENCE
| CITATION | Wang, Yinchao; Niu, Shubin; Liu, Shuchun; Guo, Liangdong; Che, Yongsheng The first naturally occurring thiepinols and thienol from an endolichenic fungus Coniochaeta sp Organic Letters 2010 12 (21) 5081-5083. | ||
|---|---|---|---|
| DOI | 10.1021/ol102168z | PMID | 20919732 |
