| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:34 UTC |
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| Update Date | 2025-03-25 00:53:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02197928 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H24O9 |
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| Molecular Mass | 408.142 |
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| SMILES | CC1OC(O)(C(=O)O)C(C(=O)O)C(Oc2cccc(CC3CCC(=O)O3)c2)C1C |
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| InChI Key | RKMPOUCMCDEEOB-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | pyrans |
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| Subclass | pyran carboxylic acids and derivatives |
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| Direct Parent | pyran carboxylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersalpha hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsgamma butyrolactoneshemiacetalshydrocarbon derivativesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundstetrahydrofuranstricarboxylic acids and derivatives |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundalpha-hydroxy acidtricarboxylic acid or derivativesalkyl aryl ethercarboxylic acid derivativelactoneorganic oxidehemiacetaloxanepyran carboxylic acid or derivativestetrahydrofuranhydroxy acidgamma butyrolactoneoxacycleorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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