| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:55 UTC |
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| Update Date | 2025-03-25 00:59:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02235430 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H15NO2 |
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| Molecular Mass | 205.1103 |
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| SMILES | COC(=O)C1(c2ccccc2)CCN1C |
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| InChI Key | AFQVNNKKAGGZPK-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 | azetidines |
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| Subclass | phenylazetidines |
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| Direct Parent | phenylazetidines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsaralkylaminesazacyclic compoundsazetidinecarboxylic acidsbenzene and substituted derivativescarbonyl compoundshydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundstrialkylamines |
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| Substituents | monocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compoundamino acid or derivativesazetidinecarboxylic acidalpha-amino acid or derivativescarboxylic acid derivativearalkylamineorganic oxidemethyl esterorganonitrogen compoundalpha-amino acidorganopnictogen compoundtertiary amineazacycletertiary aliphatic amine2-phenylazetidinemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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