Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000848627 | Gold | 1 |
| CCMSLIB00000848628 | Gold | 1 |
| CCMSLIB00000848629 | Gold | 1 |
| CCMSLIB00000847385 | Gold | 1 |
| CCMSLIB00005722261 | Gold | 3 |
| CCMSLIB00005722262 | Gold | 3 |
| CCMSLIB00012130245 | Gold | 4 |
| CCMSLIB00009970042 | Gold | 4 |
| CCMSLIB00012130246 | Gold | 4 |
| CCMSLIB00009970043 | Gold | 4 |
| CCMSLIB00004701120 | Gold | 3 |
| CCMSLIB00004701121 | Gold | 3 |
| CCMSLIB00004701122 | Gold | 3 |
| CCMSLIB00004701123 | Gold | 3 |
| CCMSLIB00004701124 | Gold | 3 |
| CCMSLIB00004701125 | Gold | 3 |
| CCMSLIB00004701126 | Gold | 3 |
| CCMSLIB00004701127 | Gold | 3 |
| CCMSLIB00004701128 | Gold | 3 |
| CCMSLIB00004701129 | Gold | 3 |
| CCMSLIB00004701130 | Gold | 3 |
| CCMSLIB00004701131 | Gold | 3 |
| CCMSLIB00004701132 | Gold | 3 |
| CCMSLIB00004701133 | Gold | 3 |
| CCMSLIB00004701134 | Gold | 3 |
COMPOUND NPA032341
PROPERTIES
| NPAID | NPA032341 |
|---|---|
| CLUSTER ID | 710 |
| NODE ID | 621 |
| NAME | 2-O-methylbutyrolactone I |
| FORMULA | C25H26O7 |
| MOLECULAR WEIGHT (Da) | 438.4760 |
| ACCURATE MASS (Da) | 438.1679 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | sp. |
| InChIKey | FCSKUNOKIVAIKK-RUZDIDTESA-N |
| InChI | InChI=1S/C25H26O7/c1-15(2)5-7-18-13-16(6-12-20(18)27)14-25(24(29)31-4)21(22(30-3)23(28)32-25)17-8-10-19(26)11-9-17/h5-6,8-13,26-27H,7,14H2,1-4H3/t25-/m1/s1 |
| SMILES | COC(=O)[C@]1(CC2=CC(CC=C(C)C)=C(O)C=C2)OC(=O)C(OC)=C1C1=CC=C(O)C=C1 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Chen, Min; Wang, Kai-Ling; Liu, Min; She, Zhi-Gang; Wang, Chang-Yun Bioactive Steroid Derivatives and Butyrolactone Derivatives from a Gorgonian-Derived Aspergillus sp. Fungus Chemistry and Biodiversity 2015 12 (9) 1398-1406. | ||
|---|---|---|---|
| DOI | 10.1002/cbdv.201400321 | PMID | 26363883 |
