| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:01 UTC |
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| Update Date | 2025-03-21 18:40:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00129495 |
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| Frequency | 19.6 |
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| Structure | |
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| Chemical Formula | C17H22O9 |
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| Molecular Mass | 370.1264 |
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| SMILES | COc1cc(CCC(=O)O)ccc1OC1C(O)CC(O)(C(=O)O)CC1O |
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| InChI Key | CBOYJVJMGUKGMB-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 acidscyclohexanolsdicarboxylic acids and derivativeshydrocarbon derivativesmethoxybenzenesorganic oxidesphenoxy compoundsphenylpropanoic acidstertiary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid3-phenylpropanoic-acidalpha-hydroxy acidalkyl aryl ethercarboxylic acid derivativeorganic oxidecyclohexanolhydroxy acidmethoxybenzenearomatic homomonocyclic compoundtertiary alcoholanisolesecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidphenoxy compoundquinic acid |
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