Santonin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML00482
Dataset description:
This MassBank record with Accession MSBNK-Washington_State_Univ-BML00482 contains the MS2 mass spectrum of Santonin with the InChIkey XJHDMGJURBVLLE-UHFFFAOYSA-N.
Source: Santonin
Chemical Info
| InChI | InChI=1S/C15H18O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h5,7-8,10,13H,4,6H2,1-3H3 |
|---|---|
| SMILES | CC1C2CCC3(C=CC(=O)C(=C3C2OC1=O)C)C |
| InChI Key | XJHDMGJURBVLLE-UHFFFAOYSA-N |
| Molecular Formula | C15H18O3 |
| Exact Mass | 246.126 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 | d6f1f9f9-e557-4b83-8b91-0ae734476227 |
| Package id | msbnk-washington_state_univ-bml00482 |
| Resource type | HTML |
| State | active |