| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:57:20 UTC |
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| Update Date | 2025-03-25 00:52:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02195079 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H10N2O |
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| Molecular Mass | 126.0793 |
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| SMILES | CCCc1cc(=O)[nH][nH]1 |
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| InChI Key | NXFXPKZEULTGKQ-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 | azolines |
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| Subclass | pyrazolines |
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| Direct Parent | pyrazolones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrazolesvinylogous amides |
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| Substituents | vinylogous amidelactamaromatic heteromonocyclic compoundazacycleheteroaromatic compoundpyrazoleorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundazolepyrazolinone |
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