| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:14 UTC |
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| Update Date | 2025-03-25 00:49:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02172132 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H15NO4S |
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| Molecular Mass | 233.0722 |
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| SMILES | CN1C2CCC1C(CC(=O)O)S(=O)(=O)C2 |
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| InChI Key | LTKMYEASTICMEH-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | thiepanes |
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| Subclass | thiepanes |
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| Direct Parent | thiepanes |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesn-alkylpyrrolidinesorganic oxidesorganopnictogen compoundssulfonesthiomorpholinestrialkylamines |
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| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acidcarboxylic acid derivativealiphatic heteropolycyclic compoundorganic oxideorganonitrogen compoundorganopnictogen compoundpyrrolidinetertiary amine1,4-thiazinaneazacyclen-alkylpyrrolidinetertiary aliphatic aminemonocarboxylic acid or derivativesorganic oxygen compoundthiepanehydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compoundsulfone |
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