Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA009386
PROPERTIES
| NPAID | NPA009386 |
|---|---|
| CLUSTER ID | 3890 |
| NODE ID | 11 |
| NAME | 3,4,8-trihydroxy-6-(hydroxymethyl)-3,4-dihydronaphthalen-1(2H)-one |
| FORMULA | C11H12O5 |
| MOLECULAR WEIGHT (Da) | 224.2120 |
| ACCURATE MASS (Da) | 224.0685 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Daldinia |
| ORIGIN SPECIES | eschscholzii |
| InChIKey | DNTJZIFWHDIJNL-ONGXEEELSA-N |
| InChI | InChI=1S/C11H12O5/c12-4-5-1-6-10(7(13)2-5)8(14)3-9(15)11(6)16/h1-2,9,11-13,15-16H,3-4H2/t9-,11-/m0/s1 |
| SMILES | C1[C@@H]([C@H](C2=CC(=CC(=C2C1=O)O)CO)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Zhang, Ying L.; Zhang, Jie; Jiang, Nan; Lu, Yan H.; Wang, Lu; Xu, Su H.; Wang, Wei; Zhang, Gao F.; Xu, Qiang; Ge, Hui M.; Ma, Jing; Song, Yong C.; Tan, Ren X. Immunosuppressive polyketides from mantis-associated Daldinia eschscholzii Journal of the American Chemical Society 2011 133 (15) 5931-5940. | ||
|---|---|---|---|
| DOI | 10.1021/ja110932p | PMID | 21434637 |
