| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:43 UTC |
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| Update Date | 2025-03-25 00:57:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02225980 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H19N3O |
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| Molecular Mass | 221.1528 |
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| SMILES | CC(=O)NCCCCNc1ccc(N)cc1 |
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| InChI Key | DVTUYRUOIPFQFY-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic nitrogen compounds |
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| Class | organonitrogen compounds |
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| Subclass | amines |
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| Direct Parent | phenylalkylamines |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acetamidesamino acids and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundsprimary aminessecondary alkylarylaminessecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupamino acid or derivativessecondary aminecarboxamide groupcarboxylic acid derivativesecondary aliphatic/aromatic aminearomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxideorganic oxygen compoundorganopnictogen compoundphenylalkylaminehydrocarbon derivativebenzenoidprimary amineacetamideorganooxygen compound |
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