Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA026795
PROPERTIES
| NPAID | NPA026795 |
|---|---|
| CLUSTER ID | 8110 |
| NODE ID | 5505 |
| NAME | Emerione A |
| FORMULA | C29H44O5 |
| MOLECULAR WEIGHT (Da) | 472.6660 |
| ACCURATE MASS (Da) | 472.3189 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Emericella |
| ORIGIN SPECIES | nidulans |
| InChIKey | RNAHYXBPBZSDMH-CABZIAIVSA-N |
| InChI | InChI=1S/C29H44O5/c1-14(2)19(30)17(5)21(31)27(9)20(25(7)12-16(4)22-29(11,33-22)23(25)27)15(3)13-26(8)24-28(10,34-24)18(6)32-26/h12-14,17-18,20-24,31H,1-11H3/b15-13+/t17-,18+,20+,21-,22+,23-,24-,25-,26-,27+,28+,29+/m0/s1 |
| SMILES | CC1=C[C@@]2(C)[C@@H](/C(C)=C/[C@]3(C)O[C@H](C)[C@@]4(C)O[C@@H]34)[C@](C)([C@@H](O)[C@@H](C)C(=O)C(C)C)[C@H]2[C@]2(C)O[C@H]12 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Li, Qin; Chen, Chunmei; He, Yan; Guan, Danyingzi; Cheng, Li; Hao, Xincai; Wei, Mengsha; Zheng, Yinyu; Liu, Chang; Li, Xiao-Nian; Zhou, Qun; Zhu, Hucheng; Zhang, Yonghui Emeriones A-C: Three Highly Methylated Polyketides with Bicyclo[4.2.0]octene and 3,6-Dioxabicyclo[3.1.0]hexane Functionalities from Emericella nidulans Organic Letters 2019 21 (13) 5091-5095. | ||
|---|---|---|---|
| DOI | 10.1021/acs.orglett.9b01680 | PMID | 31247789 |
