| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:45:51 UTC |
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| Update Date | 2025-03-21 18:00:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00028657 |
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| Frequency | 131.1 |
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| Structure | |
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| Chemical Formula | C10H15NO2 |
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| Molecular Mass | 181.1103 |
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| SMILES | NCC(O)C(O)Cc1ccccc1 |
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| InChI Key | USZUCHJYBLANCR-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 | phenylbutylamines |
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| Direct Parent | phenylbutylamines |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1,2-diolshydrocarbon derivativesmonoalkylaminesorganonitrogen compoundsorganopnictogen compoundssecondary alcohols |
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| Substituents | alcoholaromatic homomonocyclic compoundphenylbutylamineorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound1,2-diol |
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