| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:54 UTC |
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| Update Date | 2025-03-25 00:53:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02203302 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H12O5 |
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| Molecular Mass | 248.0685 |
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| SMILES | O=C(O)CCC(=O)C(=Cc1ccccc1)C(=O)O |
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| InChI Key | UEXNOHNOUAXQQB-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 compoundsalpha-branched alpha,beta-unsaturated ketonesbenzene and substituted derivativesbeta-hydroxy ketonesbeta-keto acids and derivativesbranched fatty acidscarbocyclic fatty acidscarboxylic acidsdicarboxylic acids and derivativesenonesfatty acylsgamma-keto acids and derivativeshydrocarbon derivativesmedium-chain keto acids and derivativesorganic oxidesunsaturated fatty acids |
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| Substituents | fatty acylbeta-hydroxy ketonecarbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acidalpha,beta-unsaturated ketonecarboxylic acid derivativebeta-keto acidketoneunsaturated fatty acidcinnamic acid or derivativesorganic oxideenonealpha-branched alpha,beta-unsaturated-ketonebranched fatty acidgamma-keto acidaromatic homomonocyclic compoundorganic oxygen compoundketo aciddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidacryloyl-grouporganooxygen compoundmedium-chain keto acid |
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