| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:43:24 UTC |
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| Update Date | 2025-03-21 17:59:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00022898 |
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| Frequency | 172.7 |
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| Structure | |
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| Chemical Formula | C16H21NO3 |
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| Molecular Mass | 275.1521 |
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| SMILES | CN1C2CC(OC(=O)C(CO)c3ccccc3)CC1C2 |
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| InChI Key | SAFJRJWFHPYVEG-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 | hydroxy acids and derivatives |
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| Subclass | beta hydroxy acids and derivatives |
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| Direct Parent | beta hydroxy acids and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | amino acids and derivativesazacyclic compoundsazetidinesbenzene and substituted derivativescarbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspiperidinesprimary alcoholstrialkylamines |
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| Substituents | monocyclic benzene moietycarbonyl groupamino acid or derivativescarboxylic acid derivativebeta-hydroxy acidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundprimary alcoholpiperidinetertiary amineorganoheterocyclic compoundalcoholazacycletertiary aliphatic amineazetidinemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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