| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:53 UTC |
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| Update Date | 2025-03-25 00:49:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02173619 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H29NO4 |
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| Molecular Mass | 323.2097 |
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| SMILES | CCC(CCC(C)O)COC(=O)c1ccccc1C(O)CNC |
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| InChI Key | NBXVVRMUCMDNMO-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 | benzoic acids and derivatives |
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| Direct Parent | benzoic acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | amino acids and derivativesaromatic alcoholsbenzoyl derivativescarboxylic acid estersdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundssecondary alcohols |
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| Substituents | aromatic alcoholalcoholsecondary aliphatic amineamino acid or derivativesbenzoylbenzoate estersecondary aminecarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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