| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 08:55:25 UTC |
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| Update Date | 2025-03-24 20:05:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01336483 |
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| Frequency | 1.0 |
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| Structure | |
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| Chemical Formula | C6H6N2O |
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| Molecular Mass | 122.048 |
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| SMILES | Nc1ccc(=O)ccn1 |
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| InChI Key | PTQWXCARFSNGDC-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 | azepines |
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| Subclass | azepines |
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| Direct Parent | azepines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscyclic ketonesheteroaromatic compoundshydrocarbon derivativesimidolactamsorganic oxidesorganooxygen compoundsorganopnictogen compoundsprimary amines |
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| Substituents | aromatic heteromonocyclic compoundazacycleheteroaromatic compoundcyclic ketoneorganic oxideazepineorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundimidolactamamineorganooxygen compound |
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