| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:01 UTC |
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| Update Date | 2025-03-25 00:59:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02235696 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H20O10 |
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| Molecular Mass | 384.1056 |
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| SMILES | COc1cc(C=CC(=O)O)ccc1OC1C(O)C(O)C(O)CC1(O)C(=O)O |
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| InChI Key | LYCILRHOIKSMBV-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 | alkyl aryl ethersalpha hydroxy acids and derivativesanisolescarbonyl compoundscarboxylic acidscinnamic acids and derivativescyclohexanolsdicarboxylic acids and derivativeshydrocarbon derivativesmethoxybenzenesorganic oxidesphenoxy compoundstertiary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidalpha-hydroxy acidalkyl aryl ethercarboxylic acid derivativecinnamic acid or derivativesorganic oxidecyclohexanolhydroxy acidmethoxybenzenearomatic homomonocyclic compoundtertiary alcoholanisolesecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidphenoxy compoundquinic acid |
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