| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:56:08 UTC |
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| Update Date | 2025-03-21 18:04:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00053098 |
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| Frequency | 61.1 |
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| Structure | |
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| Chemical Formula | C16H19NO4 |
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| Molecular Mass | 289.1314 |
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| SMILES | CN1C2CC(OC(=O)C(CO)c3ccccc3)C1C1OC12 |
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| InChI Key | NCKGKUUPFCBKJC-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 | oxepanes |
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| Subclass | oxepanes |
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| Direct Parent | oxepanes |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | amino acids and derivativesazacyclic compoundsbenzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid estersdialkyl ethersepoxideshydrocarbon derivativesmonocarboxylic acids and derivativesmorpholinesn-alkylpyrrolidinesorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary alcoholstrialkylamines |
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| Substituents | monocyclic benzene moietycarbonyl groupetheramino acid or derivativescarboxylic acid derivativedialkyl etherbeta-hydroxy acidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundpyrrolidineprimary alcoholtertiary aminealcoholazacyclen-alkylpyrrolidinetertiary aliphatic amineoxiranehydroxy acidoxazinaneoxepaneoxacyclemorpholinemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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