| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:22 UTC |
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| Update Date | 2025-03-21 18:39:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00125530 |
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| Frequency | 20.4 |
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| Structure | |
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| Chemical Formula | C6H9NO2 |
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| Molecular Mass | 127.0633 |
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| SMILES | OCC(O)c1ccc[nH]1 |
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| InChI Key | OQWSSIBOPNYOJL-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 | 1,2-diolsaromatic alcoholsazacyclic compoundshydrocarbon derivativesorganonitrogen compoundsorganopnictogen compoundsprimary alcoholspyrrolessecondary alcohols |
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| Substituents | aromatic alcoholalcoholaromatic heteromonocyclic compoundazacycleheteroaromatic compoundorganic oxygen compoundpyrroleorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundprimary alcoholorganooxygen compound1,2-diol |
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