| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:24 UTC |
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| Update Date | 2025-03-21 18:03:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00046723 |
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| Frequency | 71.5 |
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| Structure | |
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| Chemical Formula | C9H14N2O |
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| Molecular Mass | 166.1106 |
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| SMILES | CNCC(O)c1ccc(N)cc1 |
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| InChI Key | MRGQZGMTKRPRJQ-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 | aromatic alcoholsdialkylamineshydrocarbon derivativesorganopnictogen compoundsprimary aminessecondary alcohols |
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| Substituents | aromatic alcoholalcoholsecondary aliphatic aminemonocyclic benzene moietysecondary aminearomatic homomonocyclic compoundorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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