| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:17 UTC |
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| Update Date | 2025-03-25 00:53:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02199620 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H13NS2 |
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| Molecular Mass | 223.0489 |
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| SMILES | Cc1ccccc1CSCCN=C=S |
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| InChI Key | YOYZRDDKNGJUHD-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 | toluenes |
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| Direct Parent | toluenes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | dialkylthioethershydrocarbon derivativesisothiocyanatesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssulfenyl compounds |
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| Substituents | isothiocyanatesulfenyl compounddialkylthioetherorganic 1,3-dipolar compoundorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundaromatic homomonocyclic compoundthioetherorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundtoluene |
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