| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 10:34:31 UTC |
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| Update Date | 2025-03-24 20:48:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01573575 |
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| Frequency | 0.8 |
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| Structure | |
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| Chemical Formula | C6H8N2O2 |
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| Molecular Mass | 140.0586 |
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| SMILES | COc1ccc(C(N)=O)[nH]1 |
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| InChI Key | BBYYZTYWAYWPPT-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 | pyrroles |
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| Subclass | pyrrole carboxylic acids and derivatives |
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| Direct Parent | pyrrole carboxamides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-heteroaryl carboxamidesalkyl aryl ethersazacyclic compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amides |
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| Substituents | primary carboxylic acid amideetheraromatic heteromonocyclic compoundazacycleheteroaromatic compoundalkyl aryl ethercarboxamide groupcarboxylic acid derivative2-heteroaryl carboxamideorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativepyrrole-2-carboxamideorganic nitrogen compoundorganooxygen compound |
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