| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:33 UTC |
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| Update Date | 2025-03-25 00:59:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02236832 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H14O6 |
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| Molecular Mass | 242.079 |
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| SMILES | COc1cc(C(O)CO)ccc1OC(=O)CO |
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| InChI Key | PKQIDMWUDGCJQL-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 | phenol esters |
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| Subclass | phenol esters |
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| Direct Parent | phenol esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolesaromatic alcoholscarbonyl compoundscarboxylic acid estershydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundsprimary alcoholssecondary alcohols |
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| Substituents | aromatic alcoholalcoholphenol ethermonocyclic benzene moietycarbonyl groupetheralkyl aryl ethercarboxylic acid derivativemethoxybenzenearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid esterphenol estersecondary alcoholhydrocarbon derivativephenoxy compoundprimary alcoholorganooxygen compound |
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