Claussequinone
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00285
Dataset description:
This MassBank record with Accession MSBNK-Fiocruz-FIO00285 contains the MS2 mass spectrum of Claussequinone with the InChIkey PDAKXMIQFUHWQC-UHFFFAOYSA-N.
Source: Claussequinone
Chemical Info
| InChI | InChI=1S/C16H14O5/c1-20-16-7-13(18)12(6-14(16)19)10-4-9-2-3-11(17)5-15(9)21-8-10/h2-3,5-7,10,17H,4,8H2,1H3 |
|---|---|
| SMILES | COc(c3)c(=O)cc(c(=O)3)C(C1)Cc(c2)c(cc(O)c2)O1 |
| InChI Key | PDAKXMIQFUHWQC-UHFFFAOYSA-N |
| Molecular Formula | C16H14O5 |
| Exact Mass | 286.084 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 | b336e468-178c-4266-8ac0-3ba3c4963b8d |
| Package id | msbnk-fiocruz-fio00285 |
| Resource type | HTML |
| State | active |