| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:56:57 UTC |
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| Update Date | 2025-03-25 00:52:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02194224 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H21NO7 |
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| Molecular Mass | 339.1318 |
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| SMILES | CN(C)c1ccc(C(=O)OC2CC(O)(C(=O)O)CC(O)C2O)cc1 |
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| InChI Key | COYUJDOFRULMEX-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | alcohols and polyols |
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| Direct Parent | quinic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativesamino acidsaminobenzoic acids and derivativesaniline and substituted anilinesbenzoic acid estersbenzoyl derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidscyclohexanolsdialkylarylaminesdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundstertiary alcohols |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidamino acid or derivativesamino acidalpha-hydroxy acidbenzoylbenzoate estercarboxylic acid derivativeorganic oxidetertiary aliphatic/aromatic amineorganonitrogen compoundorganopnictogen compounddialkylarylamineaminobenzoic acid or derivativestertiary amineaniline or substituted anilinescyclohexanolbenzoic acid or derivativeshydroxy acidaromatic homomonocyclic compoundtertiary alcoholcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundaminequinic acid |
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