Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA034986
PROPERTIES
| NPAID | NPA034986 |
|---|---|
| CLUSTER ID | 10028 |
| NODE ID | 6691 |
| NAME | Epicoccane A |
| FORMULA | C17H18O7 |
| MOLECULAR WEIGHT (Da) | 334.3240 |
| ACCURATE MASS (Da) | 334.1053 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Epicoccum |
| ORIGIN SPECIES | nigrum |
| InChIKey | VTFVIALOTNQTKX-NNXHMXCWSA-N |
| InChI | InChI=1S/C17H18O7/c1-7-10-4-24-17(22)14-5-15(10,13(20)11(7)18)16(17,21)12(19)8(2)9(14)3-23-6-14/h13,20-22H,3-6H2,1-2H3/t13-,14+,15-,16+,17-/m0/s1 |
| SMILES | CC1=C2COC[C@]23C[C@]24C(=C(C)C(=O)[C@@H]2O)CO[C@]3(O)[C@@]4(O)C1=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Cao, Peng-Ran; Li, Min; Zhang, Jing-Shu; Zheng, Yi-Lei; Chen, Jie; Zhao, Yong-Qin; Qi, Xiao-Dong; Zhu, Pan-Hu; Gu, Yu-Cheng; Kong, Ling-Yi; Yang, Ming-Hua Epicoccanes A-D, Four Oxidative Dimers of Pyrogallol Analogues from Epicoccum nigrum. Organic Letters 2022 24 (37) 6789-6793. | ||
|---|---|---|---|
| DOI | 10.1021/acs.orglett.2c02666 | PMID | 36094854 |
