| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:14 UTC |
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| Update Date | 2025-03-21 18:03:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00043900 |
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| Frequency | 77.2 |
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| Structure | |
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| Chemical Formula | C9H14N2O4S |
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| Molecular Mass | 246.0674 |
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| SMILES | O=C1NC2CSC(CCC(O)C(=O)O)C2N1 |
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| InChI Key | GVCMSOTVSMGVKM-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 | thienoimidazolidines |
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| Subclass | thienoimidazolidines |
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| Direct Parent | thienoimidazolidines |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativesazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsimidazolidinonesmonocarboxylic acids and derivativesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholsshort-chain hydroxy acids and derivativesthiolanesthiophenes |
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| Substituents | thiolaneimidazolidinefatty acylcarbonyl groupcarboxylic acidshort-chain hydroxy acidheterocyclic fatty acidalpha-hydroxy acidmonosaccharidefatty acidthiophenecarboxylic acid derivativealiphatic heteropolycyclic compoundimidazolidinonesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundhydroxy fatty acidalcoholcarbonic acid derivativeazacycledialkylthioetherhydroxy acidthienoimidazolidinemonocarboxylic acid or derivativesorganic oxygen compoundthioethersecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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