| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:02:42 UTC |
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| Update Date | 2025-03-21 18:07:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00068644 |
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| Frequency | 44.1 |
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| Structure | |
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| Chemical Formula | C17H22O6 |
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| Molecular Mass | 322.1416 |
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| SMILES | CC1C(Oc2ccc(CC(=O)O)cc2)OC(C(=O)O)C(C)C1C |
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| InChI Key | MMTOTIUFCOUAKW-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 acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidpyran carboxylic acid or derivativesaromatic heteromonocyclic compoundcarboxylic acid derivativeoxacycleorganic oxideorganic oxygen compoundacetaldicarboxylic acid or derivativeshydrocarbon derivativebenzenoidphenoxy compoundoxaneorganooxygen compound |
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