| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 01:22:35 UTC |
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| Update Date | 2025-03-21 19:13:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00256669 |
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| Frequency | 8.1 |
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| Structure | |
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| Chemical Formula | C5H6N2O2 |
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| Molecular Mass | 126.0429 |
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| SMILES | COC(=O)c1ccn[nH]1 |
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| InChI Key | ORUCTBNNYKZMSK-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 derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compounds |
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| Substituents | aromatic heteromonocyclic compoundazacycleheteroaromatic compoundcarboxylic acid derivativepyrazoleorganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundcarboxylic acid esterorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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