| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 08:49:56 UTC |
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| Update Date | 2025-03-25 00:26:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01323076 |
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| Frequency | 1.0 |
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| Structure | |
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| Chemical Formula | C6H7O2+ |
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| Molecular Mass | 111.0441 |
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| SMILES | COc1cc[o+]cc1 |
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| InChI Key | WNTGYESHFYUEAK-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 | heteroaromatic compoundshydrocarbon derivativesorganic cationsoxacyclic compounds |
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| Substituents | oxacyclearomatic heteromonocyclic compoundheteroaromatic compoundhydrocarbon derivativeorganic cationalkyl aryl etherorganoheterocyclic compound |
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