| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:23 UTC |
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| Update Date | 2025-03-25 00:59:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02236445 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H15NS2 |
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| Molecular Mass | 225.0646 |
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| SMILES | CSCCCN=C(S)c1ccccc1 |
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| InChI Key | ZQZODIFGEAKSEL-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 | alkylthiolsdialkylthioethershydrocarbon derivativesimidothioic acids and derivativesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssulfenyl compounds |
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| Substituents | monocyclic benzene moietysulfenyl compounddialkylthioetherorganic 1,3-dipolar compoundorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundaromatic homomonocyclic compoundthioetherorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundimidothioic acid or derivativesalkylthiol |
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