| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:19:27 UTC |
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| Update Date | 2025-03-25 01:00:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02245866 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C23H32O8 |
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| Molecular Mass | 436.2097 |
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| SMILES | CC1C(Oc2ccc(CC3CCC(=O)O3)cc2CCC(=O)O)OC(C(O)O)C(C)C1C |
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| InChI Key | NMQNWEXZKLARFF-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 acid esterscarboxylic acidsdicarboxylic acids and derivativesgamma butyrolactoneshydrocarbon derivativesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundstetrahydrofurans |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidcarbonyl hydratearomatic heteromonocyclic compound3-phenylpropanoic-acidtetrahydrofurancarboxylic acid derivativegamma butyrolactonelactoneoxacycleorganic oxideorganic oxygen compoundacetalcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidphenoxy compoundoxaneorganoheterocyclic compoundorganooxygen compound |
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