Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA015686
PROPERTIES
| NPAID | NPA015686 |
|---|---|
| CLUSTER ID | 5443 |
| NODE ID | 3871 |
| NAME | Caruilignan D |
| FORMULA | C14H16O6 |
| MOLECULAR WEIGHT (Da) | 280.2760 |
| ACCURATE MASS (Da) | 280.0947 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Daldinia |
| ORIGIN SPECIES | concentrica |
| InChIKey | AUXYOVQIZNPKSO-RVBZMBCESA-N |
| InChI | InChI=1S/C14H16O6/c1-17-10-3-7(4-11(18-2)12(10)15)13-8-5-20-14(16)9(8)6-19-13/h3-4,8-9,13,15H,5-6H2,1-2H3/t8-,9-,13-/m0/s1 |
| SMILES | COC1=CC(=CC(=C1O)OC)[C@H]2[C@H]3COC(=O)[C@H]3CO2 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Quang, Dang Ngoc; Hashimoto, Toshihiro; Tanaka, Masami; Baumgartner, Manuela; Stadler, Marc; Asakawa, Yoshinori Chemical Constituents of the Ascomycete Daldinia concentrica Journal of Natural Products 2002 65 (12) 1869-1874. | ||
|---|---|---|---|
| DOI | 10.1021/np020301h | PMID | 12502330 |
