| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:20 UTC |
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| Update Date | 2025-03-25 00:45:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02149578 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H26O5 |
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| Molecular Mass | 322.178 |
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| SMILES | CC1C(C(=O)O)OC(Oc2ccc(C(C)(C)C)cc2)C(O)C1C |
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| InChI Key | ZNSIELAFEFTNCM-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 acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundsphenylpropanessecondary alcohols |
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| Substituents | alcoholphenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidpyran carboxylic acid or derivativesaromatic heteromonocyclic compoundcarboxylic acid derivativephenylpropaneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundacetalsecondary alcoholhydrocarbon derivativebenzenoidphenoxy compoundoxaneorganooxygen compound |
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