| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:59:41 UTC |
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| Update Date | 2025-03-21 18:06:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00061467 |
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| Frequency | 50.6 |
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| Structure | |
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| Chemical Formula | C9H14N2O2 |
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| Molecular Mass | 182.1055 |
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| SMILES | CNCC(O)c1ccc(N)c(O)c1 |
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| InChI Key | KHBLXKLDUWHNGF-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 | phenols |
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| Subclass | 1-hydroxy-2-unsubstituted benzenoids |
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| Direct Parent | 1-hydroxy-2-unsubstituted benzenoids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-4-unsubstituted benzenoidsaromatic alcoholsbenzene and substituted derivativesdialkylamineshydrocarbon derivativesorganopnictogen compoundsprimary aminessecondary alcohols |
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| Substituents | aromatic alcoholalcoholsecondary aliphatic aminemonocyclic benzene moiety1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidsecondary aminearomatic homomonocyclic compoundorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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