| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:59 UTC |
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| Update Date | 2025-03-21 18:34:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00100439 |
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| Frequency | 27.3 |
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| Structure | |
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| Chemical Formula | C15H19NO6 |
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| Molecular Mass | 309.1212 |
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| SMILES | O=C(Cc1ccccc1)NC1C(O)CC(O)(C(=O)O)CC1O |
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| InChI Key | RIVOPFGVSUNVTE-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 derivativescarbonyl compoundscarboxylic acidscyclohexanolshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylacetamidessecondary carboxylic acid amidestertiary alcohols |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidalpha-hydroxy acidcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundphenylacetamidecyclohexanolhydroxy acidcarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amidetertiary alcoholmonocarboxylic acid or derivativessecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundquinic acid |
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