| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:44 UTC |
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| Update Date | 2025-03-25 00:48:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02170962 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H19NO3 |
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| Molecular Mass | 249.1365 |
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| SMILES | CNCC(c1cccc(OC)c1)C1CCC(=O)O1 |
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| InChI Key | UNTFQAHGBWICDD-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | phenol ethers |
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| Subclass | anisoles |
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| Direct Parent | anisoles |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersamino acids and derivativescarbonyl compoundscarboxylic acid estersdialkylaminesgamma butyrolactoneshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundsphenoxy compoundstetrahydrofurans |
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| Substituents | monocyclic benzene moietycarbonyl groupetheraromatic heteromonocyclic compoundamino acid or derivativesalkyl aryl ethercarboxylic acid derivativelactoneorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundsecondary aliphatic aminetetrahydrofuransecondary aminemethoxybenzenegamma butyrolactoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid esterhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compoundamine |
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