Isoeleutherin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00613
Dataset description:
This MassBank record with Accession MSBNK-Fiocruz-FIO00613 contains the MS2 mass spectrum of Isoeleutherin with the InChIkey IAJIIJBMBCZPSW-YGPZHTELSA-N.
Source: Isoeleutherin
Chemical Info
| InChI | InChI=1S/C16H16O4/c1-8-7-11-13(9(2)20-8)16(18)14-10(15(11)17)5-4-6-12(14)19-3/h4-6,8-9H,7H2,1-3H3/t8?,9-/m1/s1 |
|---|---|
| SMILES | COc(c3)c(c(=O)1)c(cc3)c(=O)c(C2)c([C@@H](C)OC(C)2)1 |
| InChI Key | IAJIIJBMBCZPSW-YGPZHTELSA-N |
| Molecular Formula | C16H16O4 |
| Exact Mass | 272.105 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | January 11, 2024 |
| Metadata last updated | January 11, 2024 |
| Created | January 11, 2024 |
| Format | HTML |
| License | Attribution-NonCommercial 4.0 International (CC BY-NC 4.0) |
| Id | bc0681a3-7d99-42c8-a505-dc07650bb763 |
| Package id | msbnk-fiocruz-fio00613 |
| Resource type | HTML |
| State | active |