| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:01:08 UTC |
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| Update Date | 2025-03-21 18:06:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00064821 |
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| Frequency | 47.4 |
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| Structure | |
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| Chemical Formula | C9H7NO2 |
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| Molecular Mass | 161.0477 |
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| SMILES | O=CC1C(O)=Nc2ccccc21 |
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| InChI Key | NEWVVIDKMOJCCS-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 | indolecarboxylic acids and derivatives |
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| Direct Parent | indolecarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aldehydesazacyclic compoundsbenzenoidscyclic carboximidic acidshydrocarbon derivativesindolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | indolecarboxylic acid derivativecarbonyl groupazacycleindolealdehydeorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundcyclic carboximidic acidorganooxygen compound |
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