| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:12:58 UTC |
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| Update Date | 2025-03-21 18:32:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00093125 |
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| Frequency | 30.0 |
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| Structure | |
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| Chemical Formula | C16H18O9 |
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| Molecular Mass | 354.0951 |
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| SMILES | COc1cc(C=CC(=O)O)ccc1OC1OC(C(=O)O)CC(O)C1O |
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| InChI Key | YQSNIRYLWUZQGM-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | cinnamic acids and derivatives |
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| Subclass | cinnamic acids and derivatives |
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| Direct Parent | cinnamic acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsacetalsalkyl aryl ethersanisolescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmethoxybenzenesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundalkyl aryl ethercarboxylic acid derivativepyran carboxylic acidcinnamic acid or derivativesorganic oxideacetaloxaneorganoheterocyclic compound1,2-diolalcoholpyran carboxylic acid or derivativesmethoxybenzeneoxacycleorganic oxygen compoundpyrananisolesecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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