| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:47:40 UTC |
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| Update Date | 2025-03-21 18:01:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00032922 |
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| Frequency | 130.2 |
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| Structure | |
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| Chemical Formula | C9H11NO2 |
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| Molecular Mass | 165.079 |
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| SMILES | ON=C(O)CCc1ccccc1 |
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| InChI Key | HYBGBWAPFWWJRE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzene and substituted derivatives |
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| Direct Parent | benzene and substituted derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | hydrocarbon derivativesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compounds |
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| Substituents | aromatic homomonocyclic compoundmonocyclic benzene moietyorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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