| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:14 UTC |
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| Update Date | 2025-03-25 00:55:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02213478 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H22N2O5 |
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| Molecular Mass | 310.1529 |
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| SMILES | CN(CC(=O)O)CC(O)C(Cc1ccccc1)NC(=O)CO |
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| InChI Key | UQHCGLANUKBQIS-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 | 1,2-aminoalcoholsalpha amino acidsamino acidsamphetamines and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amidestrialkylamines |
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| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acidalpha-amino acid or derivativescarboxylic acid derivativeorganic oxidephenylbutylaminealpha-amino acidorganonitrogen compoundorganopnictogen compoundtertiary amineamphetamine or derivativesalcohol1,2-aminoalcoholtertiary aliphatic aminecarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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