| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:37 UTC |
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| Update Date | 2025-03-25 00:51:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02186775 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H15NO6 |
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| Molecular Mass | 269.0899 |
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| SMILES | Nc1ccccc1C(=O)OCC(O)CC(O)C(=O)O |
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| InChI Key | XHSSEWYZLLBKGO-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 | alpha hydroxy acids and derivativesamino acidsbenzoyl derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundsprimary aminessecondary alcoholsvinylogous amides |
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| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acidalpha-hydroxy acidbenzoylbenzoate estercarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundalcoholvinylogous amidehydroxy acidaromatic homomonocyclic compoundorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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