| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:43 UTC |
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| Update Date | 2025-03-25 00:46:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152787 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H14ClN3S |
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| Molecular Mass | 255.0597 |
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| SMILES | N=C(Nc1ccc(Cl)cc1)N1CCSCC1 |
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| InChI Key | XYRHRKPVSGVNTM-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 | halobenzenes |
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| Direct Parent | chlorobenzenes |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aryl chloridesazacyclic compoundscarboximidamidesdialkylthioethersguanidineshydrocarbon derivativesiminesorganochloridesorganopnictogen compoundsthiomorpholines |
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| Substituents | aryl chloridechlorobenzene1,4-thiazinanearomatic heteromonocyclic compoundazacycleguanidineiminedialkylthioetherorganochloridecarboximidamideorganohalogen compoundaryl halidethioetherorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compound |
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