| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:46:43 UTC |
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| Update Date | 2025-03-21 18:01:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00030633 |
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| Frequency | 121.3 |
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| Structure | |
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| Chemical Formula | C15H23NO3 |
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| Molecular Mass | 265.1678 |
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| SMILES | CN(C)CCC(O)c1ccc(C(C)(C)C(=O)O)cc1 |
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| InChI Key | ISCXHTVCNDTLIQ-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 | phenylpropanes |
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| Direct Parent | phenylpropanes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1,3-aminoalcoholsamino acidsaromatic alcoholscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundssecondary alcoholstrialkylamines |
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| Substituents | aromatic alcoholcarbonyl groupcarboxylic acidamino acid or derivativesamino acidcarboxylic acid derivativephenylpropaneorganic oxideorganonitrogen compoundorganopnictogen compoundtertiary aminealcohol1,3-aminoalcoholtertiary aliphatic aminearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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