| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:38 UTC |
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| Update Date | 2025-03-21 18:41:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00135485 |
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| Frequency | 18.5 |
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| Structure | |
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| Chemical Formula | C17H18O11 |
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| Molecular Mass | 398.0849 |
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| SMILES | COc1cc(C=CC(=O)O)ccc1OC1OC(C(=O)O)C(O)C(O)C1C(=O)O |
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| InChI Key | OYZAWDXGQVWKEO-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 ethersanisolesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmethoxybenzenesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidssecondary alcoholstricarboxylic acids and derivatives |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundmonosaccharidetricarboxylic acid or derivativesalkyl aryl ethercarboxylic acid derivativepyran carboxylic acidcinnamic acid or derivativesbeta-hydroxy acidsaccharideorganic oxideacetaloxaneorganoheterocyclic compound1,2-diolalcoholpyran carboxylic acid or derivativeshydroxy acidmethoxybenzeneoxacycleorganic oxygen compoundpyrananisolesecondary alcoholhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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