| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:40 UTC |
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| Update Date | 2025-03-25 00:45:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02150369 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H14O4 |
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| Molecular Mass | 246.0892 |
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| SMILES | O=C(O)C=CC(O)CC(=O)C=Cc1ccccc1 |
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| InChI Key | XVMLBFANQWOZNJ-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 compoundsbenzene and substituted derivativesbeta-hydroxy ketonescarbocyclic fatty acidscarboxylic acidsenoneshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcoholsunsaturated fatty acidsb'-hydroxy-alpha,beta-unsaturated ketones |
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| Substituents | fatty acylbeta-hydroxy ketonecarbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acidb'-hydroxy-alpha,beta-unsaturated-ketonefatty acidalpha,beta-unsaturated ketonecarboxylic acid derivativemedium-chain hydroxy acidketoneunsaturated fatty acidcinnamic acid or derivativesorganic oxidemedium-chain fatty acidhydroxy fatty acidenonealcoholaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidacryloyl-grouporganooxygen compound |
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