Dataset
Deoxycholic acid methyl ester
Chemical Info
InChI | InChI=1S/C25H42O4/c1-15(5-10-23(28)29-4)19-8-9-20-18-7-6-16-13-17(26)11-12-24(16,2)21(18)14-22(27)25(19,20)3/h15-22,26-27H,5-14H2,1-4H3 |
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SMILES | CC(CCC(=O)OC)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C |
InChI Key | ZHUOOEGSSFNTNP-UHFFFAOYSA-N |
Molecular Formula | C25H42O4 |
Exact Mass | 406.308 g/mol |
Data and Resources
Metadata Information
Field | Value |
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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-BML81081 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T22:27:35.787863 |
MetadataModified | 2024-01-11T22:27:35.947577 |
MetadataPublished | 2016-01-19 |
Field | Value |
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Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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969849 | eMolecules |
MCULE-3700307217 | Mcule |
10009057 | NMRShiftDB |
95608 | PubChem |
PD029930 | ProbesDrugs |
The data in this table is sourced from UniChem at EBI. |