| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:29 UTC |
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| Update Date | 2025-03-25 00:50:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181897 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H13NO2 |
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| Molecular Mass | 215.0946 |
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| SMILES | O=C(NCCO)c1ccc2ccccc2c1 |
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| InChI Key | NVTMNQAPQCERQB-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 | naphthalenecarboxylic acids and derivatives |
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| Direct Parent | naphthalenecarboxylic acids |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | alcohols and polyolsalkanolaminescarboxylic acids and derivativeshydrocarbon derivativesn-acylethanolaminesnaphthalenecarboxamidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | alcoholaromatic homopolycyclic compoundcarboxamide groupn-acylethanolaminecarboxylic acid derivative2-naphthalenecarboxamidesecondary carboxylic acid amideorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compound2-naphthalenecarboxylic acidorganooxygen compoundalkanolamine |
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