| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:43:48 UTC |
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| Update Date | 2025-03-21 17:59:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00023817 |
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| Frequency | 164.3 |
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| Structure | |
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| Chemical Formula | C12H10O4 |
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| Molecular Mass | 218.0579 |
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| SMILES | O=C(C=Cc1ccccc1)CC(=O)C(=O)O |
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| InChI Key | UZQCYIQOXAAUAY-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 | 3-acylpyruvic acidsacryloyl compoundsalpha-hydroxy ketonesalpha-keto acids and derivativesbenzene and substituted derivativescarbocyclic fatty acidscarboxylic acidsenonesfatty acylshydrocarbon derivativesmedium-chain keto acids and derivativesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | fatty acylcarbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acidalpha,beta-unsaturated ketonealpha-hydroxy ketonecarboxylic acid derivativeketonecinnamic acid or derivativesorganic oxidealpha-keto acidenone3-acylpyruvic acidgamma-keto acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundketo acidhydrocarbon derivativebenzenoidacryloyl-grouporganooxygen compoundmedium-chain keto acid |
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