| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:41:33 UTC |
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| Update Date | 2025-03-21 17:59:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00018762 |
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| Frequency | 219.9 |
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| Structure | |
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| Chemical Formula | C9H9NO2 |
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| Molecular Mass | 163.0633 |
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| SMILES | O=C(O)C1NCc2ccccc21 |
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| InChI Key | OFKFBEJYOHXPIA-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbohydrates and carbohydrate conjugates |
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| Direct Parent | bicyclic amino acids and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesisoindolesisoindolinesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compounds |
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| Substituents | bicyclic amino acidcarbonyl groupcarboxylic acidamino acid or derivativesamino acidalpha-amino acid or derivativescarboxylic acid derivativeorganic oxideisoindolinearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundsecondary aliphatic amineazacycleisoindolesecondary aminemonocarboxylic acid or derivativesisoindole or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundamine |
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