| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:19:19 UTC |
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| Update Date | 2025-03-25 01:00:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02245511 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H29NO3 |
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| Molecular Mass | 307.2147 |
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| SMILES | CCN(C)CCCCC(O)c1ccc(C(C)(C)C(=O)O)cc1 |
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| InChI Key | VMPCGSDAOKTVEF-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 | amino acidsaromatic alcoholscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundssecondary alcoholstrialkylamines |
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| Substituents | aromatic alcoholalcoholcarbonyl groupcarboxylic acidamino acid or derivativesamino acidtertiary aliphatic aminecarboxylic acid derivativephenylpropanearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundaminetertiary amineorganooxygen compound |
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