| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:57:28 UTC |
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| Update Date | 2025-03-25 00:52:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02195401 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C23H30O9 |
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| Molecular Mass | 450.189 |
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| SMILES | CC1C(Oc2cccc(CC3CCC(CC(=O)O)(C(=O)O)O3)c2)OC(C(=O)O)C(C)C1C |
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| InChI Key | PEENBXJTOACIQP-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 | acetalscarbonyl compoundscarboxylic acidsdialkyl ethershydrocarbon derivativesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundstetrahydrofuranstricarboxylic acids and derivatives |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidpyran carboxylic acid or derivativesaromatic heteromonocyclic compoundtetrahydrofurantricarboxylic acid or derivativescarboxylic acid derivativedialkyl etheroxacycleorganic oxideorganic oxygen compoundacetalhydrocarbon derivativebenzenoidphenoxy compoundoxaneorganooxygen compound |
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