Sambucinol
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000572
Dataset description:
This MassBank record with Accession MSBNK-AAFC-AC000572 contains the MS2 mass spectrum of Sambucinol with the InChIkey GFLMBFRNOPTZDK-CMBQYIQPSA-N.
Source: Sambucinol
Chemical Info
| InChI | InChI=1S/C15H22O4/c1-9-4-5-12(2)13(3)7-10(17)11-14(13,8-16)19-15(12,6-9)18-11/h6,10-11,16-17H,4-5,7-8H2,1-3H3/t10-,11+,12+,13+,14+,15+/m0/s1 |
|---|---|
| SMILES | CC1=C[C@]23[C@](CC1)([C@]4(C[C@@H]([C@H]([C@]4(O2)CO)O3)O)C)C |
| InChI Key | GFLMBFRNOPTZDK-CMBQYIQPSA-N |
| Molecular Formula | C15H22O4 |
| Exact Mass | 266.152 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-ShareAlike 4.0 International (CC BY-SA 4.0) |
| Id | b31ddd90-5858-441c-b196-df2f03e6c80f |
| Package id | msbnk-aafc-ac000572 |
| Resource type | HTML |
| State | active |