| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:04:48 UTC |
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| Update Date | 2025-03-21 18:28:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00073680 |
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| Frequency | 40.4 |
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| Structure | |
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| Chemical Formula | C13H16O6 |
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| Molecular Mass | 268.0947 |
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| SMILES | Cc1ccc(OC2OC(C(=O)O)CC(O)C2O)cc1 |
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| InChI Key | OPDBNXHCCDSCFM-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 | 1,2-diolsacetalscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundssecondary alcoholstoluenes |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundcarboxylic acid derivativeorganic oxideacetaloxane1,2-diolalcoholpyran carboxylic acid or derivativesoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidphenoxy compoundtolueneorganooxygen compound |
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