| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:25 UTC |
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| Update Date | 2025-03-21 18:36:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00108959 |
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| Frequency | 24.6 |
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| Structure | |
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| Chemical Formula | C13H16O6 |
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| Molecular Mass | 268.0947 |
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| SMILES | CCOC(=O)C(O)C(O)C(=O)OCc1ccccc1 |
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| InChI Key | BQEUOCVISNSCOC-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 | benzyloxycarbonyls |
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| Direct Parent | benzyloxycarbonyls |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1,2-diolsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid estersdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativesmonosaccharidesorganic oxidessecondary alcohols |
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| Substituents | benzyloxycarbonylalcoholfatty acylcarbonyl groupmonosaccharidehydroxy acidcarboxylic acid derivativearomatic homomonocyclic compoundfatty acid esterbeta-hydroxy acidsaccharideorganic oxideorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound1,2-diol |
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