| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:34 UTC |
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| Update Date | 2025-03-25 00:50:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02182101 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H11NO2 |
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| Molecular Mass | 237.079 |
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| SMILES | O=C(O)C=CC1=CNc2cccc3cccc1c23 |
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| InChI Key | CPIUPEXXPPOVFA-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 heteropolycyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundssecondary alkylarylamines |
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| Substituents | carbonyl groupcarboxylic acidazacycleamino acid or derivativesamino acidsecondary aminecarboxylic acid derivativesecondary aliphatic/aromatic amineorganic oxidemonocarboxylic acid or derivativesnaphthaleneorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundamineorganoheterocyclic compoundorganooxygen compound |
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