Lithocholic acid
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML01111
Dataset description:
This MassBank record with Accession MSBNK-Washington_State_Univ-BML01111 contains the MS2 mass spectrum of Lithocholic acid with the InChIkey SMEROWZSTRWXGI-UHFFFAOYSA-N.
Source: Lithocholic acid
Chemical Info
| 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 |
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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 | 14d20c1f-3754-4a49-892b-25eeeb20462b |
| Package id | msbnk-washington_state_univ-bml01111 |
| Resource type | HTML |
| State | active |