| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:07 UTC |
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| Update Date | 2025-03-25 00:46:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153769 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H16N2OS |
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| Molecular Mass | 236.0983 |
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| SMILES | COc1ccccc1NC(=S)N1CCCC1 |
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| InChI Key | QKNCWRKZWBZFPY-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 | n-phenylthioureas |
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| Direct Parent | n-phenylthioureas |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolesazacyclic compoundshydrocarbon derivativesmethoxybenzenesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundspyrrolidinesthioureas |
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| Substituents | phenol etherthioureaethern-phenylthioureaaromatic heteromonocyclic compoundazacyclealkyl aryl etherorganosulfur compoundmethoxybenzeneorganic oxygen compoundanisoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundpyrrolidineorganoheterocyclic compoundorganooxygen compound |
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