| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:37:15 UTC |
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| Update Date | 2025-03-21 17:57:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00009069 |
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| Frequency | 534.7 |
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| Structure | |
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| Chemical Formula | C15H16O9 |
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| Molecular Mass | 340.0794 |
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| SMILES | COc1cc(C=CC(=O)O)ccc1OC1OC(C(=O)O)C(O)C1O |
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| InChI Key | OINHRWLBXKOAFU-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 acidsdicarboxylic acids and derivativeshydrocarbon derivativesmethoxybenzenesmonosaccharidesorganic oxidesoxacyclic compoundsphenoxy compoundssecondary alcoholstetrahydrofurans |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundmonosaccharidealkyl aryl ethercarboxylic acid derivativecinnamic acid or derivativesbeta-hydroxy acidsaccharideorganic oxideacetalorganoheterocyclic compound1,2-diolalcoholtetrahydrofuranhydroxy acidmethoxybenzeneoxacycleorganic oxygen compoundanisolesecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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