Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA025572
PROPERTIES
| NPAID | NPA025572 |
|---|---|
| CLUSTER ID | 4924 |
| NODE ID | 433 |
| NAME | Emeridone F |
| FORMULA | C25H28O6 |
| MOLECULAR WEIGHT (Da) | 424.4930 |
| ACCURATE MASS (Da) | 424.1886 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Emericella |
| ORIGIN SPECIES | sp. TJ29 |
| InChIKey | WZTSFFJSAFHTNQ-IFBMCOSOSA-N |
| InChI | InChI=1S/C25H28O6/c1-19(2)14-5-8-22-10-20(3)9-13-18(28)30-11-23(13,22)24(12-31-24)16(17(20)27)25(22,29)21(14,4)7-6-15(19)26/h6-7,9,14,16,29H,5,8,10-12H2,1-4H3/t14-,16-,20+,21-,22+,23-,24-,25+/m0/s1 |
| SMILES | CC1(C)C(=O)C=C[C@@]2(C)[C@H]1CC[C@@]13C[C@@]4(C)C=C5C(=O)OC[C@]51[C@]1(CO1)[C@H](C4=O)[C@@]23O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Li, Qin; Chen, Chunmei; Cheng, Li; Wei, Mengsha; Dai, Chong; He, Yan; Gong, Jiaojiao; Zhu, Runqi; Li, Xiao-Nian; Liu, Junjun; Wang, Jianping; Zhu, Hucheng; Zhang, Yonghui Emeridones A-F, a Series of 3,5-Demethylorsellinic Acid-Based Meroterpenoids with Rearranged Skeletons from an Endophytic Fungus Emericella sp. TJ29 Journal of Organic Chemistry 2019 84 (3) 1534-1541. | ||
|---|---|---|---|
| DOI | 10.1021/acs.joc.8b02830 | PMID | 30608689 |
