| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:00:05 UTC |
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| Update Date | 2025-03-21 18:06:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00062377 |
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| Frequency | 49.7 |
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| Structure | |
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| Chemical Formula | C10H12ClN3O |
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| Molecular Mass | 225.0669 |
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| SMILES | N=C(N)N1Cc2cc(Cl)ccc2C(O)C1 |
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| InChI Key | BTOMWHLHLCRSLY-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | tetrahydroisoquinolines |
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| Subclass | tetrahydroisoquinolines |
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| Direct Parent | tetrahydroisoquinolines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aryl chloridesazacyclic compoundsbenzenoidscarboximidamidesguanidineshydrocarbon derivativesiminesorganochloridesorganopnictogen compoundssecondary alcohols |
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| Substituents | aryl chloridealcoholazacycleguanidineimineorganochloridecarboximidamideorganohalogen compoundaryl halideorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundtetrahydroisoquinolinesecondary alcoholorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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