| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:58:03 UTC |
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| Update Date | 2025-03-21 18:05:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00057553 |
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| Frequency | 55.1 |
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| Structure | |
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| Chemical Formula | C18H26O6 |
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| Molecular Mass | 338.1729 |
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| SMILES | CC(C(=O)O)c1ccc(OC2OC(C(O)O)C(C)C(C)C2C)cc1 |
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| InChI Key | YAMISNXIDKZVIS-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 | acetalscarbonyl compoundscarbonyl hydratescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidcarbonyl hydratearomatic heteromonocyclic compoundcarboxylic acid derivativeoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compound2-phenylpropanoic-acidacetalhydrocarbon derivativebenzenoidphenoxy compoundoxaneorganoheterocyclic compoundorganooxygen compound |
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