| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:21:52 UTC |
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| Update Date | 2025-03-21 18:37:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00114871 |
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| Frequency | 23.0 |
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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 | CN1CC2CC(OC(=O)C(CO)c3ccccc3)CC21 |
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| InChI Key | VVCHXIZBXBDIBY-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | azepanes |
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| Subclass | azepanes |
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| Direct Parent | azepanes |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | amino acids and derivativesazacyclic compoundsazetidinesbenzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary alcoholstrialkylamines |
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| Substituents | monocyclic benzene moietycarbonyl groupamino acid or derivativescarboxylic acid derivativebeta-hydroxy acidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundprimary alcoholtertiary aminealcoholazacycletertiary aliphatic aminehydroxy acidazetidinemonocarboxylic acid or derivativesazepaneorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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