| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:22 UTC |
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| Update Date | 2025-03-25 00:54:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206658 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H15NO4 |
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| Molecular Mass | 273.1001 |
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| SMILES | O=C(O)C(O)c1ccc(NCc2ccc(O)cc2)cc1 |
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| InChI Key | NCIFNQNZRUAFHB-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic nitrogen compounds |
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| Class | organonitrogen compounds |
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| Subclass | amines |
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| Direct Parent | phenylalkylamines |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha hydroxy acids and derivativesamino acidsaromatic alcoholsbenzene and substituted derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundssecondary alcoholssecondary alkylarylamines |
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| Substituents | aromatic alcoholmonocyclic benzene moietycarbonyl groupcarboxylic acidamino acid or derivativesamino acidalpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganic oxideorganopnictogen compoundalcoholhydroxy acidsecondary aminesecondary aliphatic/aromatic aminearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholphenylalkylaminephenolhydrocarbon derivativebenzenoidorganooxygen compound |
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