| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:58:48 UTC |
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| Update Date | 2025-03-21 18:05:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00059326 |
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| Frequency | 53.0 |
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| Structure | |
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| Chemical Formula | C12H14N2O2 |
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| Molecular Mass | 218.1055 |
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| SMILES | COc1ccc2[nH]cc(CCC(N)=O)c2c1 |
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| InChI Key | JMCDMXCZECUEPM-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | indoles and derivatives |
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| Subclass | indoles |
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| Direct Parent | indoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesfatty amidesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidespyrroles |
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| Substituents | primary carboxylic acid amidefatty acylphenol ethercarbonyl groupetherindolefatty amidealkyl aryl ethercarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundazacycleheteroaromatic compoundcarboxamide grouporganic oxygen compoundanisolepyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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