Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA017707
PROPERTIES
| NPAID | NPA017707 |
|---|---|
| CLUSTER ID | 5906 |
| NODE ID | 2064 |
| NAME | Eleganketal A |
| FORMULA | C18H16O9 |
| MOLECULAR WEIGHT (Da) | 376.3170 |
| ACCURATE MASS (Da) | 376.0794 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Spicaria |
| ORIGIN SPECIES | elegans KLA03 |
| InChIKey | NRYXVYOFLNWMAZ-SFHVURJKSA-N |
| InChI | InChI=1S/C18H16O9/c1-5-7-3-26-18(17(25)9(7)13(21)15(23)11(5)19)10-8(4-27-18)6(2)12(20)16(24)14(10)22/h19-24H,3-4H2,1-2H3/t18-/m0/s1 |
| SMILES | CC1=C(C(=C(C2=C1CO[C@@]3(C2=O)C4=C(CO3)C(=C(C(=C4O)O)O)C)O)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Luan, Yepeng; Wei, Hongjuan; Zhang, Zhenpei; Che, Qian; Liu, Yankai; Zhu, Tianjiao; Mándi, Attila; Kurtán, Tibor; Gu, Qianqun; Li, Dehai Eleganketal A, a highly oxygenated dibenzospiroketal from the marine-derived fungus Spicaria elegans KLA03 Journal of Natural Products 2014 77 (7) 1718-1723. | ||
|---|---|---|---|
| DOI | 10.1021/np500458a | PMID | 24967847 |
