| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:48 UTC |
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| Update Date | 2025-03-25 00:46:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157555 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H12N2O2S |
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| Molecular Mass | 236.0619 |
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| SMILES | O=C(O)CCNC1=Nc2ccccc2SC1 |
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| InChI Key | ZGJPEYLKPLLXQN-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | beta amino acids and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,4-thiazinesalkylarylthioethersamidinesazacyclic compoundsbenzenoidsbenzothiazinescarbonyl compoundscarboxylic acidshydrocarbon derivativesimidolactamsmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | carbonyl groupcarboxylic acidbenzothiazineamidinealkylarylthioetheraryl thioetherpropargyl-type 1,3-dipolar organic compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundimidolactamorganoheterocyclic compoundpara-thiazineazacycleorganic 1,3-dipolar compoundbeta amino acid or derivativesmonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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