| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:42 UTC |
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| Update Date | 2025-03-25 01:00:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02241713 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H16O4 |
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| Molecular Mass | 224.1049 |
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| SMILES | CC(OC(=O)C(O)C(C)O)c1ccccc1 |
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| InChI Key | PJRDIYLYJPFUAX-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 estersfatty acid estershydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidessecondary alcohols |
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| Substituents | benzyloxycarbonylalcoholfatty acylcarbonyl groupmonosaccharidehydroxy acidcarboxylic acid derivativearomatic homomonocyclic compoundfatty acid esterbeta-hydroxy acidsaccharideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholhydrocarbon derivativeorganooxygen compound1,2-diol |
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