| 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 | DMID02195402 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H28O7 |
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| Molecular Mass | 380.1835 |
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| SMILES | CC1C(Oc2ccc(CCC(O)CC(=O)O)cc2)OC(C(=O)O)C(C)C1C |
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| InChI Key | GCPYODUNQLRTQE-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 | acetalsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundssecondary alcohols |
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| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundheterocyclic fatty acidfatty acidcarboxylic acid derivativemedium-chain hydroxy acidbeta-hydroxy acidorganic oxideacetalmedium-chain fatty acidhydroxy fatty acidoxanealcoholpyran carboxylic acid or derivativeshydroxy acidoxacycleorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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