| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 06:52:52 UTC |
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| Update Date | 2025-03-24 18:00:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01041068 |
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| Frequency | 1.3 |
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| Structure | |
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| Chemical Formula | C7H9NO2 |
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| Molecular Mass | 139.0633 |
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| SMILES | O=C(CO)Cc1cc[nH]c1 |
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| InChI Key | KMIBJOPPTGSSGR-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 | heteroaromatic compounds |
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| Subclass | heteroaromatic compounds |
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| Direct Parent | heteroaromatic compounds |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alcohols and polyolsalpha-hydroxy ketonesazacyclic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrroles |
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| Substituents | alcoholcarbonyl grouparomatic heteromonocyclic compoundazacycleheteroaromatic compoundalpha-hydroxy ketoneketoneorganic oxideorganic oxygen compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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