Eleutherin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00611
Dataset description:
This MassBank record with Accession MSBNK-Fiocruz-FIO00611 contains the MS2 mass spectrum of Eleutherin with the InChIkey IAJIIJBMBCZPSW-DTWKUNHWSA-N.
Source: Eleutherin
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+/m0/s1 |
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SMILES | COc(c3)c(c(=O)1)c(cc3)c(=O)c(C2)c([C@@H](C)O[C@@H](C)2)1 |
InChI Key | IAJIIJBMBCZPSW-DTWKUNHWSA-N |
Molecular Formula | C16H16O4 |
Exact Mass | 272.105 g/mol |
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Additional Information
Field | Value |
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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 | 3061299f-1d6c-4f2f-a615-e8604d7a22e9 |
Package id | msbnk-fiocruz-fio00611 |
Resource type | HTML |
State | active |