| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:46:01 UTC |
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| Update Date | 2025-03-21 18:00:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00029030 |
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| Frequency | 129.1 |
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| Structure | |
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| Chemical Formula | C18H24O6 |
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| Molecular Mass | 336.1573 |
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| SMILES | CC1C(Oc2ccc(CCC(=O)O)cc2)OC(C(=O)O)C(C)C1C |
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| InChI Key | APFLNCZSXIMNAM-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 compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acids |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidpyran carboxylic acid or derivativesaromatic heteromonocyclic compound3-phenylpropanoic-acidcarboxylic acid derivativepyran carboxylic acidoxacycleorganic oxideorganic oxygen compoundacetalpyrandicarboxylic acid or derivativeshydrocarbon derivativebenzenoidphenoxy compoundoxaneorganoheterocyclic compoundorganooxygen compound |
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