| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:43 UTC |
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| Update Date | 2025-03-25 01:02:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02253279 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H14O7 |
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| Molecular Mass | 282.074 |
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| SMILES | O=C(O)C1CC(O)(C(=O)O)CC(Oc2ccccc2)O1 |
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| InChI Key | YEIIFCPROOIFLP-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 | acetalsalpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundstertiary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundalpha-hydroxy acidcarboxylic acid derivativeorganic oxideacetaloxanealcoholpyran carboxylic acid or derivativeshydroxy acidoxacycletertiary alcoholorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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