| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:07 UTC |
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| Update Date | 2025-03-25 00:53:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201553 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H20O4 |
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| Molecular Mass | 276.1362 |
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| SMILES | Cc1cc(CCC(=O)O)c(C)c(CC2CCC(=O)O2)c1 |
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| InChI Key | WKQOAJBODIKFOU-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 | carbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesgamma butyrolactoneshydrocarbon derivativesorganic oxidesoxacyclic compoundstetrahydrofuransp-xylenes |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acidtetrahydrofurancarboxylic acid derivativegamma butyrolactonelactonexyleneoxacycleorganic oxidep-xyleneorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganoheterocyclic compoundorganooxygen compound |
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