| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:43 UTC |
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| Update Date | 2025-03-25 00:50:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180125 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H20O7 |
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| Molecular Mass | 324.1209 |
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| SMILES | COc1cc(C=CC(=O)CC(O)CC(=O)O)cc(OC)c1OC |
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| InChI Key | UYNHXVDATVECOL-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 homomonocyclic compounds |
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| Alternative Parents | acryloyl compoundsalkyl aryl ethersanisolesbeta hydroxy acids and derivativesbeta-hydroxy ketonescarbocyclic fatty acidscarboxylic acidsenonesfatty alcoholshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundssecondary alcoholsb'-hydroxy-alpha,beta-unsaturated ketones |
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| Substituents | fatty acylbeta-hydroxy ketonecarbocyclic fatty acidphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidb'-hydroxy-alpha,beta-unsaturated-ketonealkyl aryl etheralpha,beta-unsaturated ketonecarboxylic acid derivativemedium-chain hydroxy acidketonecinnamic acid or derivativesbeta-hydroxy acidorganic oxidefatty alcoholmedium-chain fatty acidhydroxy fatty acidenonealcoholhydroxy acidmethoxybenzenearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisolesecondary alcoholhydrocarbon derivativebenzenoidacryloyl-groupphenoxy compoundorganooxygen compound |
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