| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:43:58 UTC |
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| Update Date | 2025-03-21 17:59:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00024226 |
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| Frequency | 161.2 |
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| Structure | |
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| Chemical Formula | C12H10O5 |
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| Molecular Mass | 234.0528 |
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| SMILES | O=C(C=Cc1ccc(O)cc1)CC(=O)C(=O)O |
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| InChI Key | LMYWXSQFFBRDAB-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 benzenoids3-acylpyruvic acidsacryloyl compoundsalpha-hydroxy ketonesalpha-keto acids and derivativesbenzene and substituted derivativescarbocyclic fatty acidscarboxylic acidsenonesfatty acylshydrocarbon derivativeshydroxy fatty acidsmedium-chain keto acids and derivativesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | fatty acylcarbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidalpha,beta-unsaturated ketonealpha-hydroxy ketonecarboxylic acid derivativeketoneorganic oxidealpha-keto acidhydroxy fatty acidenone3-acylpyruvic acidhydroxycinnamic acidgamma-keto acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundketo acidphenolhydrocarbon derivativebenzenoidacryloyl-grouporganooxygen compoundmedium-chain keto acid |
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