Eleutherol
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00603
Dataset description:
This MassBank record with Accession MSBNK-Fiocruz-FIO00603 contains the MS2 mass spectrum of Eleutherol with the InChIkey KNLHGXVYZRQSJZ-SSDOTTSWSA-N.
Source: Eleutherol
Chemical Info
| InChI | InChI=1S/C14H12O4/c1-7-11-9(14(16)18-7)6-8-4-3-5-10(17-2)12(8)13(11)15/h3-7,15H,1-2H3/t7-/m1/s1 |
|---|---|
| SMILES | COc(c3)c(c(cc3)1)c(O)c([C@@H](C)2)c(C(=O)O2)c1 |
| InChI Key | KNLHGXVYZRQSJZ-SSDOTTSWSA-N |
| Molecular Formula | C14H12O4 |
| Exact Mass | 244.074 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 | 42c45d1a-d0f4-482c-b639-5fc295f4e52c |
| Package id | msbnk-fiocruz-fio00603 |
| Resource type | HTML |
| State | active |