| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:18 UTC |
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| Update Date | 2025-03-25 00:57:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02225113 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H20N2O3 |
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| Molecular Mass | 252.1474 |
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| SMILES | Nc1ccccc1C(O)CCCNCCC(=O)O |
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| InChI Key | AFTBZOPNJDUJIR-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 | phenylbutylamines |
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| Direct Parent | phenylbutylamines |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | amino acidsaromatic alcoholsbeta amino acids and derivativescarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary aminessecondary alcohols |
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| Substituents | aromatic alcoholcarbonyl groupcarboxylic acidamino acid or derivativesamino acidcarboxylic acid derivativeorganic oxidephenylbutylamineorganonitrogen compoundorganopnictogen compoundalcoholsecondary aliphatic aminesecondary aminebeta amino acid or derivativesaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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