Walleminone
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000279
Dataset description:
This MassBank record with Accession MSBNK-AAFC-AC000279 contains the MS2 mass spectrum of Walleminone with the InChIkey NGQXJSTYWWTPOG-VGYDOTAVSA-N.
Source: Walleminone
Chemical Info
InChI | InChI=1S/C15H24O3/c1-8-5-13(17)14(18)9(2)12(16)6-11-10(8)7-15(11,3)4/h9-11,13-14,17-18H,1,5-7H2,2-4H3/t9-,10+,11-,13-,14+/m1/s1 |
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SMILES | C[C@H]1[C@@H]([C@@H](CC(=C)[C@@H]2CC([C@@H]2CC1=O)(C)C)O)O |
InChI Key | NGQXJSTYWWTPOG-VGYDOTAVSA-N |
Molecular Formula | C15H24O3 |
Exact Mass | 252.173 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-ShareAlike 4.0 International (CC BY-SA 4.0) |
Id | b99d4cc9-8c57-40dd-9c58-0396c4292788 |
Package id | msbnk-aafc-ac000279 |
Resource type | HTML |
State | active |