| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:49:33 UTC |
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| Update Date | 2025-03-25 01:12:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02314887 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H9N3O |
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| Molecular Mass | 139.0746 |
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| SMILES | NCC(=O)Cc1ccn[nH]1 |
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| InChI Key | MKZBGVVFNZMIIU-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 | azoles |
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| Subclass | pyrazoles |
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| Direct Parent | pyrazoles |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesketonesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | carbonyl grouparomatic heteromonocyclic compoundazacycleheteroaromatic compoundpyrazoleketoneorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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