| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:44:17 UTC |
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| Update Date | 2025-03-21 18:00:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00024977 |
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| Frequency | 155.1 |
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| Structure | |
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| Chemical Formula | C12H12O5 |
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| Molecular Mass | 236.0685 |
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| SMILES | COc1cc(C=CC(=O)OC(C)=O)ccc1O |
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| InChI Key | HMDQEVMJGAKQMH-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 | hydroxycinnamic acids and derivatives |
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| Direct Parent | hydroxycinnamic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisolescarbonyl compoundscarboxylic acid anhydridesdicarboxylic acids and derivativeshydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganic oxidesphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupether1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethercarboxylic acid derivativemethoxybenzenehydroxycinnamic acidaromatic homomonocyclic compoundorganic oxideorganic oxygen compoundanisolecarboxylic acid anhydridedicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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