| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:51:13 UTC |
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| Update Date | 2025-03-21 18:02:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00041450 |
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| Frequency | 82.9 |
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| Structure | |
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| Chemical Formula | C18H23NO4 |
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| Molecular Mass | 317.1627 |
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| SMILES | CN1C2CCC(OC(=O)C(CO)c3ccccc3)CC1C1OC12 |
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| InChI Key | NWQXWXSZARULLE-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 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 acidoxazinaneoxacyclemorpholinemonocarboxylic acid or derivativesazepaneorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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