Dataset
Biotin
Chemical Info
InChI | InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1 |
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SMILES | OC(=O)CCCC[C@H](S1)[C@@]([H])(N2)[C@@]([H])(NC(=O)2)C1 |
InChI Key | YBJHBAHKTGYVGT-ZKWXMUAHSA-N |
Molecular Formula | C10H16N2O3S |
Exact Mass | 244.088 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | |
License URL | https://creativecommons.org/licenses/by-nc/4.0 |
Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00019 |
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Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T16:35:58.356459 |
MetadataModified | 2024-01-11T16:35:58.519742 |
MetadataPublished | 2016-01-19 |
Field | Value |
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Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |