| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:42 UTC |
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| Update Date | 2025-03-25 00:49:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02177875 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H18O10 |
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| Molecular Mass | 370.09 |
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| SMILES | COc1cc(C(=O)OC2CC(O)(C(=O)O)CC(O)C2C(=O)O)ccc1O |
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| InChI Key | AXPCEKQGHXBHMZ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | alcohols and polyols |
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| Direct Parent | quinic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersalpha hydroxy acids and derivativesanisolesbenzoyl derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidscyclohexanolshydrocarbon derivativesm-methoxybenzoic acids and derivativesmethoxybenzenesmethoxyphenolsorganic oxidesphenoxy compoundstertiary alcoholstricarboxylic acids and derivativesp-hydroxybenzoic acid alkyl esters |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidalpha-hydroxy acidp-hydroxybenzoic acid esterbenzoyl1-hydroxy-2-unsubstituted benzenoidmethoxyphenoltricarboxylic acid or derivativesbenzoate esteralkyl aryl ethercarboxylic acid derivativebeta-hydroxy acidorganic oxidem-methoxybenzoic acid or derivativescyclohexanolbenzoic acid or derivativeshydroxy acidmethoxybenzenep-hydroxybenzoic acid alkyl esteraromatic homomonocyclic compoundtertiary alcoholanisolecarboxylic acid estersecondary alcoholphenolhydrocarbon derivativebenzenoidphenoxy compoundquinic acid |
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