| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:31 UTC |
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| Update Date | 2025-03-25 00:48:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02168209 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H21NO3S |
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| Molecular Mass | 295.1242 |
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| SMILES | CC(C)c1ccc(CSCCC(O)=NCC(=O)O)cc1 |
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| InChI Key | QZVBJQLPDNVHEN-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | prenol lipids |
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| Subclass | monoterpenoids |
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| Direct Parent | aromatic monoterpenoids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboximidic acidscarboxylic acidscumenesdialkylthioethershydrocarbon derivativesmonocarboxylic acids and derivativesmonocyclic monoterpenoidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylpropanespropargyl-type 1,3-dipolar organic compoundssulfenyl compounds |
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| Substituents | carboximidic acidmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidcarboxylic acidalpha-amino acid or derivativesp-cymeneorganosulfur compoundcarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundphenylpropaneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundcumenesulfenyl compounddialkylthioetherorganic 1,3-dipolar compoundaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundaromatic monoterpenoid |
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