| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:02:44 UTC |
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| Update Date | 2025-03-21 18:07:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00068703 |
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| Frequency | 44.1 |
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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 | CN1C2CC(OC(=O)C(CO)c3ccccc3)CC1C1CC2O1 |
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| InChI Key | PCXYSHYSYNDVSP-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 compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acid estersdialkyl ethershydrocarbon derivativesmonocarboxylic acids and derivativesmorpholinesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxetanespiperidinesprimary alcoholstrialkylamines |
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| Substituents | monocyclic benzene moietycarbonyl groupetheramino acid or derivativescarboxylic acid derivativedialkyl etherbeta-hydroxy acidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundprimary alcoholpiperidinetertiary amineorganoheterocyclic compoundalcoholazacycletertiary aliphatic amineoxazinaneoxacyclemorpholinemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteroxetanehydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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