| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:55 UTC |
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| Update Date | 2025-03-25 00:46:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02155628 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H22N2O4 |
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| Molecular Mass | 282.158 |
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| SMILES | Cc1cccc(C)c1NC(=O)CNCC(O)C(O)CO |
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| InChI Key | SSVWJXDNCYIBFU-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acid amides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsanilidescarbonyl compoundscarboxylic acids and derivativesdialkylamineshydrocarbon derivativesn-arylamidesorganic oxidesorganopnictogen compoundsprimary alcoholssecondary alcoholssecondary carboxylic acid amidesm-xylenes |
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| Substituents | monocyclic benzene moietycarbonyl groupn-arylamidexyleneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundprimary alcoholalcoholsecondary aliphatic aminealpha-amino acid amidem-xylenesecondary aminecarboxamide grouparomatic homomonocyclic compoundanilidesecondary carboxylic acid amideorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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