| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:03 UTC |
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| Update Date | 2025-03-25 00:46:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02158113 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H17NO4 |
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| Molecular Mass | 287.1158 |
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| SMILES | O=C(O)CN=C(O)CCCOc1cccc2ccccc12 |
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| InChI Key | QWBOLQPOQKNWSQ-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 | naphthalenes |
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| Subclass | naphthalenes |
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| Direct Parent | naphthalenes |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersalpha amino acidscarbonyl compoundscarboximidic acidscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenol etherspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | phenol ethercarboximidic acidcarbonyl groupethercarboxylic acidaromatic homopolycyclic compoundorganic 1,3-dipolar compoundalpha-amino acid or derivativesalkyl aryl ethercarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundorganic oxidemonocarboxylic acid or derivativesnaphthaleneorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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