Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000853887 | Gold | 1!CCMSLIB00000853888 |
COMPOUND NPA011512
PROPERTIES
| NPAID | NPA011512 |
|---|---|
| CLUSTER ID | 63 |
| NODE ID | 59 |
| NAME | Ustusolate E |
| FORMULA | C21H26O6 |
| MOLECULAR WEIGHT (Da) | 374.4330 |
| ACCURATE MASS (Da) | 374.1729 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | ustus 094102 |
| InChIKey | NTEIYTQTTHYBTI-BEFOBABASA-N |
| InChI | InChI=1S/C21H26O6/c1-19(2)9-7-10-20(3)17(19)15(27-16(23)8-5-4-6-11-22)12-14-13-26-18(24)21(14,20)25/h4-6,8,11-12,15,17,25H,7,9-10,13H2,1-3H3/b6-4+,8-5+/t15-,17+,20+,21+/m1/s1 |
| SMILES | C[C@]12CCCC([C@@H]1[C@@H](C=C3[C@@]2(C(=O)OC3)O)OC(=O)/C=C/C=C/C=O)(C)C |
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 |
