| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:39:04 UTC |
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| Update Date | 2025-03-21 17:58:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00013339 |
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| Frequency | 336.0 |
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| Structure | |
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| Chemical Formula | C13H16O4 |
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| Molecular Mass | 236.1049 |
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| SMILES | CC(C)C(=O)OC(Cc1ccccc1)C(=O)O |
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| InChI Key | HMWXYEWWSUHINO-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 | phenylpropanoic acids |
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| Subclass | phenylpropanoic acids |
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| Direct Parent | phenylpropanoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | benzene and substituted derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganooxygen compound |
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