| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:24 UTC |
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| Update Date | 2025-03-21 18:05:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00055997 |
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| Frequency | 57.0 |
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| Structure | |
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| Chemical Formula | C12H19NO2 |
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| Molecular Mass | 209.1416 |
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| SMILES | CC(C)NCC(O)C(O)c1ccccc1 |
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| InChI Key | ODVNVVXLZAALLK-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 | benzene and substituted derivatives |
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| Direct Parent | benzene and substituted derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1,2-diolsaromatic alcoholsdialkylamineshydrocarbon derivativesorganopnictogen compoundssecondary alcohols |
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| Substituents | aromatic alcoholalcoholsecondary aliphatic aminemonocyclic benzene moietysecondary aminearomatic homomonocyclic compoundorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine1,2-diol |
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