| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:05:22 UTC |
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| Update Date | 2025-03-21 18:28:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00075032 |
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| Frequency | 39.5 |
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| Structure | |
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| Chemical Formula | C17H23NO5 |
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| Molecular Mass | 321.1576 |
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| SMILES | CC(C)(C(=O)O)c1ccc(C(O)CCN2CCC2C(=O)O)cc1 |
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| InChI Key | KJSBONQXGIGHTD-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 acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,3-aminoalcoholsamino acidsaromatic alcoholsazacyclic compoundsazetidinecarboxylic acidsazetidinescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundsphenylpropanessecondary alcoholstrialkylamines |
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| Substituents | aromatic alcoholmonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidazetidinecarboxylic acidphenylpropaneorganic oxidealpha-amino acidorganonitrogen compoundorganopnictogen compoundtertiary amineorganoheterocyclic compoundalcohol1,3-aminoalcoholazacycletertiary aliphatic amineazetidineorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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