Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA034987
PROPERTIES
| NPAID | NPA034987 |
|---|---|
| CLUSTER ID | 10029 |
| NODE ID | 3763 |
| NAME | Epicoccane B |
| FORMULA | C21H22O9 |
| MOLECULAR WEIGHT (Da) | 418.3980 |
| ACCURATE MASS (Da) | 418.1264 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Epicoccum |
| ORIGIN SPECIES | nigrum |
| InChIKey | VXNNGSLJMRNYTA-XNTOXWQXSA-N |
| InChI | InChI=1S/C21H22O9/c1-9(22)4-19(26)14(23)11(3)13-6-30-21(28)17-7-18(13,16(19)25)20(21,27)15(24)10(2)12(17)5-29-8-17/h26-28H,4-8H2,1-3H3/t17-,18+,19-,20-,21+/m1/s1 |
| SMILES | CC(=O)C[C@@]1(O)C(=O)C(C)=C2CO[C@@]3(O)[C@]45COCC4=C(C)C(=O)[C@@]3(O)[C@]2(C5)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 |
