| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 07:14:43 UTC |
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| Update Date | 2025-03-24 19:58:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01093016 |
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| Frequency | 1.3 |
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| Structure | |
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| Chemical Formula | C5H7NO3 |
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| Molecular Mass | 129.0426 |
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| SMILES | COc1c(C)o[nH]c1=O |
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| InChI Key | KUHLTPVRSMLUOA-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | ethers |
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| Direct Parent | alkyl aryl ethers |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesisoxazoleslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compounds |
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| Substituents | lactamaromatic heteromonocyclic compoundazacycleheteroaromatic compoundisoxazolealkyl aryl etheroxacycleorganic oxideorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundazole |
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