| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:57:21 UTC |
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| Update Date | 2025-03-25 00:52:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02195137 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H24N2OS |
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| Molecular Mass | 280.1609 |
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| SMILES | CCCN=C(NCCCCS(C)=O)c1ccccc1 |
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| InChI Key | DVQXWVFVFBHQBE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzene and substituted derivatives |
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| Direct Parent | benzene and substituted derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | amidinescarboximidamideshydrocarbon derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssulfinyl compoundssulfoxides |
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| Substituents | monocyclic benzene moietyorganic 1,3-dipolar compoundamidinecarboximidamideorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundaromatic homomonocyclic compoundorganic oxideorganic oxygen compoundsulfinyl compoundorganonitrogen compoundsulfoxideorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compound |
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