| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:46 UTC |
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| Update Date | 2025-03-25 00:54:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02207554 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H17NO3S2 |
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| Molecular Mass | 311.065 |
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| SMILES | O=C(CC1CCSS1)NC(Cc1ccccc1)C(=O)O |
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| InChI Key | DKHATORCTNFEFH-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 | phenylalanine and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-dithiolanesalpha amino acidsamphetamines and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic disulfidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylpropanoic acidssecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acid1,2-dithiolaneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundamphetamine or derivativesn-acyl-alpha amino acid or derivativesn-acyl-alpha-amino acidcarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compounddithiolaneorganic disulfidehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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