| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:56:25 UTC |
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| Update Date | 2025-03-21 18:04:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00053697 |
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| Frequency | 60.2 |
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| Structure | |
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| Chemical Formula | C15H17NO4 |
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| Molecular Mass | 275.1158 |
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| SMILES | O=C(O)CNCC(O)COc1cccc2ccccc12 |
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| InChI Key | STWYPSHELWOUJY-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 acidsamino acidscarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenol etherssecondary alcohols |
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| Substituents | phenol ethercarbonyl groupethercarboxylic acidamino acid or derivativesamino acidalpha-amino acid or derivativesalkyl aryl ethercarboxylic acid derivativeorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalcoholsecondary aliphatic aminearomatic homopolycyclic compoundsecondary aminemonocarboxylic acid or derivativesnaphthaleneorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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