| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:48 UTC |
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| Update Date | 2025-03-21 18:36:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00109865 |
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| Frequency | 24.3 |
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| Structure | |
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| Chemical Formula | C14H16O4 |
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| Molecular Mass | 248.1049 |
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| SMILES | CC(C(=O)O)c1cccc(CC2CCC(=O)O2)c1 |
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| InChI Key | MQMVDPIJBJIRHO-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 heteromonocyclic compounds |
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| Alternative Parents | benzene and substituted derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesgamma butyrolactoneshydrocarbon derivativesorganic oxidesoxacyclic compoundstetrahydrofurans |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundtetrahydrofurancarboxylic acid derivativegamma butyrolactonelactoneoxacycleorganic oxideorganic oxygen compound2-phenylpropanoic-acidcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganoheterocyclic compoundorganooxygen compound |
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