| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:00 UTC |
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| Update Date | 2025-03-25 00:48:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02167065 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H14O4 |
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| Molecular Mass | 234.0892 |
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| SMILES | CC(C(=O)O)c1ccc(C2CC(=O)CO2)cc1 |
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| InChI Key | WDMXSWASQRVFAW-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 | aromatic monoterpenoidsbenzene and substituted derivativescarboxylic acidscyclic ketonesdialkyl ethersfuranoneshydrocarbon derivativesmonocarboxylic acids and derivativesmonocyclic monoterpenoidsorganic oxidesoxacyclic compoundstetrahydrofurans |
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| Substituents | monoterpenoidmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidethercarboxylic acidaromatic heteromonocyclic compoundcyclic ketonep-cymenecarboxylic acid derivativedialkyl etherketoneorganic oxide2-phenylpropanoic-acidorganoheterocyclic compoundtetrahydrofuranoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoid3-furanoneorganooxygen compoundaromatic monoterpenoid |
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