| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 16:05:37 UTC |
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| Update Date | 2025-03-25 01:18:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02352271 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H8NO2+ |
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| Molecular Mass | 138.055 |
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| SMILES | CNC(=O)c1cccc[o+]1 |
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| InChI Key | ODEGTHPSZBLPRW-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | carboxylic acid derivatives |
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| Direct Parent | 2-heteroaryl carboxamides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | carboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesorganic cationsorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundssecondary carboxylic acid amides |
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| Substituents | aromatic heteromonocyclic compoundheteroaromatic compound2-heteroaryl carboxamideoxacyclesecondary carboxylic acid amideorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationorganoheterocyclic compoundorganooxygen compound |
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