Culmorin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000097
Dataset description:
This MassBank record with Accession MSBNK-AAFC-AC000097 contains the MS2 mass spectrum of Culmorin with the InChIkey VWMGBHVRRNKOAE-PDMNRUCYSA-N.
Source: Culmorin
Chemical Info
InChI | InChI=1S/C15H26O2/c1-13(2)6-5-7-14(3)10-9(16)8-15(14,4)12(17)11(10)13/h9-12,16-17H,5-8H2,1-4H3/t9-,10+,11+,12?,14-,15-/m1/s1 |
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SMILES | C[C@@]12CCCC([C@H]3[C@@H]1[C@@H](C[C@@]2(C3O)C)O)(C)C |
InChI Key | VWMGBHVRRNKOAE-PDMNRUCYSA-N |
Molecular Formula | C15H26O2 |
Exact Mass | 238.193 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 | a3425d49-5895-4c32-a56b-2d00e85e5376 |
Package id | msbnk-aafc-ac000097 |
Resource type | HTML |
State | active |