| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:12 UTC |
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| Update Date | 2025-03-25 00:50:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183502 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H18O6 |
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| Molecular Mass | 270.1103 |
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| SMILES | O=C(O)c1ccc(OCCOCCOCCO)cc1 |
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| InChI Key | NONKBHVWYBWQNK-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 acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alcohols and polyolsalkyl aryl ethersbenzoyl derivativescarboxylic acidsdialkyl ethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenol ethersphenoxy compounds |
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| Substituents | alcoholphenol etherethercarboxylic acidbenzoylalkyl aryl ethercarboxylic acid derivativedialkyl etheraromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzoic acidphenoxy compoundorganooxygen compound |
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