| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:58:22 UTC |
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| Update Date | 2025-03-21 18:05:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00058300 |
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| Frequency | 54.2 |
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| Structure | |
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| Chemical Formula | C9H13NO2 |
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| Molecular Mass | 167.0946 |
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| SMILES | COc1ccc(CN)cc1OC |
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| InChI Key | DIVNUTGTTIRPQA-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 | methoxybenzenes |
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| Direct Parent | dimethoxybenzenes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisoleshydrocarbon derivativesmonoalkylaminesorganonitrogen compoundsorganopnictogen compoundsphenoxy compounds |
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| Substituents | phenol etheretheralkyl aryl etheraromatic homomonocyclic compounddimethoxybenzeneorganic oxygen compoundanisoleo-dimethoxybenzeneorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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