| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:21:21 UTC |
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| Update Date | 2025-03-21 18:37:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00113617 |
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| Frequency | 38.9 |
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| Structure | |
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| Chemical Formula | C14H19NO4S |
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| Molecular Mass | 297.1035 |
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| SMILES | CSCCC(O)C(O)=NC(Cc1ccccc1)C(=O)O |
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| InChI Key | DVNCPVYKKCUHNG-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 homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsamphetamines and derivativesbenzene and substituted derivativescarbonyl compoundscarboximidic acidscarboxylic acidsdialkylthioethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylpropanoic acidspropargyl-type 1,3-dipolar organic compoundssecondary alcoholssulfenyl compounds |
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| Substituents | carboximidic acidmonocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesalcoholsulfenyl compounddialkylthioetherorganic 1,3-dipolar compoundaromatic homomonocyclic compoundmonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundthioethersecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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