| 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 | DMID02219501 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H18O8 |
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| Molecular Mass | 362.1002 |
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| SMILES | COc1cc(C=CC(=O)OC2C=CC(O)(CC(=O)O)C(=O)C2)ccc1O |
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| InChI Key | NKHPYGOJNWSAPR-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 benzenoidsacyloinsalkyl aryl ethersanisolescarboxylic acidscyclohexenonesdicarboxylic acids and derivativesenoate estersfatty acid estershydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganic oxidesphenoxy compoundstertiary alcohols |
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| Substituents | fatty acylcyclohexenonephenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid1-hydroxy-2-unsubstituted benzenoidmethoxyphenolcyclic ketonealkyl aryl ethercarboxylic acid derivativeketonealpha,beta-unsaturated carboxylic esterorganic oxideenoate esteralcoholmethoxybenzenehydroxycinnamic acidaromatic homomonocyclic compoundfatty acid estertertiary alcoholorganic oxygen compoundanisoleacyloincarboxylic acid esterdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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