| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:54:38 UTC |
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| Update Date | 2025-03-21 18:04:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00049650 |
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| Frequency | 66.4 |
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| Structure | |
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| Chemical Formula | C16H20O6 |
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| Molecular Mass | 308.126 |
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| SMILES | CC1C(Oc2cccc(C(=O)O)c2)OC(C(=O)O)C(C)C1C |
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| InChI Key | UHCYOHYWZQBUAU-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 | acetalsbenzoic acidsbenzoyl derivativescarbonyl 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 compoundbenzoylbenzoic acid or derivativescarboxylic acid derivativeoxacycleorganic oxideorganic oxygen compoundacetaldicarboxylic acid or derivativeshydrocarbon derivativebenzenoidbenzoic acidphenoxy compoundoxaneorganooxygen compound |
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