| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:51 UTC |
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| Update Date | 2025-03-25 00:56:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219497 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H16O7 |
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| Molecular Mass | 332.0896 |
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| SMILES | COc1cc(C=CC(=O)OC2CC(C(=O)O)C=CC2=O)ccc1O |
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| InChI Key | DBOICGJMJCOPTM-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 ethersalpha-acyloxy ketonesanisolescarboxylic acidscyclohexenonesdicarboxylic acids and derivativesenoate estersfatty acid estershydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganic oxidesphenoxy compounds |
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| Substituents | fatty acylcyclohexenonephenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidalpha-acyloxy ketone1-hydroxy-2-unsubstituted benzenoidmethoxyphenolcyclic ketonealkyl aryl ethercarboxylic acid derivativeketonealpha,beta-unsaturated carboxylic esterorganic oxideenoate estermethoxybenzenehydroxycinnamic acidaromatic homomonocyclic compoundfatty acid esterorganic oxygen compoundanisolecarboxylic acid esterdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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