| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:33 UTC |
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| Update Date | 2025-03-25 00:53:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202500 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H14O10 |
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| Molecular Mass | 342.0587 |
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| SMILES | O=C(O)c1ccc(OC2C(O)CC(O)(C(=O)O)OC2C(=O)O)cc1 |
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| InChI Key | HBEPCBOVTBOCKH-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 | alkyl aryl ethersalpha hydroxy acids and derivativesbenzoic acidsbenzoyl derivativescarbonyl compoundscarboxylic acidshemiacetalshydrocarbon derivativesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundssecondary alcoholstricarboxylic acids and derivatives |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundalpha-hydroxy acidbenzoyltricarboxylic acid or derivativesalkyl aryl ethercarboxylic acid derivativeorganic oxidehemiacetalbenzoic acidoxanealcoholpyran carboxylic acid or derivativesbenzoic acid or derivativeshydroxy acidoxacycleorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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