| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:30 UTC |
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| Update Date | 2025-03-25 00:56:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02218668 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H13NO4 |
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| Molecular Mass | 187.0845 |
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| SMILES | CNCC(O)c1cc(OC)c(O)o1 |
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| InChI Key | RNKYNAFWPOMGJD-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 | aromatic alcoholsdialkylaminesfuransheteroaromatic compoundshydrocarbon derivativesorganopnictogen compoundsoxacyclic compoundssecondary alcohols |
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| Substituents | aromatic alcoholalcoholfuransecondary aliphatic aminearomatic heteromonocyclic compoundheteroaromatic compoundalkyl aryl ethersecondary amineoxacycleorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundamine |
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