| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 02:23:16 UTC |
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| Update Date | 2025-03-21 20:54:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00398184 |
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| Frequency | 4.6 |
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| Structure | |
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| Chemical Formula | C6H5NO3 |
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| Molecular Mass | 139.0269 |
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| SMILES | NC(=O)c1cccc(=O)o1 |
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| InChI Key | DTQULNKOXNNAPA-UHFFFAOYSA-N |
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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 derivativeslactonesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundsprimary carboxylic acid amidespyranones and derivatives |
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| Substituents | primary carboxylic acid amidearomatic heteromonocyclic compoundheteroaromatic compound2-heteroaryl carboxamidelactoneoxacycleorganic oxideorganic oxygen compoundpyranorganonitrogen compoundpyranoneorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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