Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000855918 | Gold | 1 |
COMPOUND NPA016197
PROPERTIES
| NPAID | NPA016197 |
|---|---|
| CLUSTER ID | 63 |
| NODE ID | 59 |
| NAME | Ustusolate C |
| FORMULA | C23H32O6 |
| MOLECULAR WEIGHT (Da) | 404.5030 |
| ACCURATE MASS (Da) | 404.2199 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | ustus 094102 |
| InChIKey | GWQSYRUODDDVOT-WMQXXUAISA-N |
| InChI | InChI=1S/C23H32O6/c1-15(24)9-6-5-7-10-18(25)29-17-13-16-14-28-20(26)23(16,27)22(4)12-8-11-21(2,3)19(17)22/h5-7,10,13,15,17,19,24,27H,8-9,11-12,14H2,1-4H3/b6-5+,10-7+/t15?,17-,19+,22+,23+/m1/s1 |
| SMILES | CC(C/C=C/C=C/C(=O)O[C@@H]1C=C2COC(=O)[C@@]2([C@@]3([C@@H]1C(CCC3)(C)C)C)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Lu, Zhenyu; Wang, Yi; Miao, Chengdu; Liu, Peipei; Hong, Kui; Zhu, Weiming Sesquiterpenoids and benzofuranoids from the marine-derived fungus Aspergillus ustus 094102. Journal of Natural Products 2009 72 (10) 1761-1767. | ||
|---|---|---|---|
| DOI | 10.1021/np900268z | PMID | 19769341 |
