| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:06:59 UTC |
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| Update Date | 2025-03-25 00:56:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02217493 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H28O11 |
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| Molecular Mass | 444.1632 |
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| SMILES | COc1cc(CC(O)CCC(=O)OC2C(O)CC(O)(C(=O)O)CC2O)cc(OC)c1O |
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| InChI Key | KVDGCZQFZQVJTI-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 acid esterscarboxylic acidscyclohexanolsdicarboxylic acids and derivativesdimethoxybenzenesfatty acid estershydrocarbon derivativesmethoxyphenolsorganic oxidesphenoxy compoundstertiary alcohols |
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| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidalpha-hydroxy acidmethoxyphenolalkyl aryl ethercarboxylic acid derivativedimethoxybenzeneorganic oxidecyclohexanolhydroxy acidmethoxybenzenearomatic homomonocyclic compoundfatty acid estertertiary alcoholm-dimethoxybenzeneanisolecarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidphenoxy compoundquinic acid |
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