Dataset

Lithocholic acid

This MassBank record with Accession MSBNK-Washington_State_Univ-BML81615 contains the MS mass spectrum of Lithocholic acid with the InChIkey SMEROWZSTRWXGI-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)
SMILES CC(CCC(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C
InChI Key SMEROWZSTRWXGI-UHFFFAOYSA-N
Molecular Formula C24H40O3
Exact Mass 376.298 g/mol

Data and Resources

Metadata Information

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DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML81615
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MetadataCreated 2024-01-11T22:21:24.890644
MetadataModified 2025-02-09T20:11:28.262731
MetadataPublished 2016-01-19
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