| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:51 UTC |
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| Update Date | 2025-03-25 00:50:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02178213 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H10O6 |
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| Molecular Mass | 202.0477 |
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| SMILES | COC(=O)C1CC(O)C=C(C(=O)O)O1 |
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| InChI Key | ZBFBTBZLCNNUBF-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 | aliphatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmethyl estersorganic oxidesoxacyclic compoundssecondary alcohols |
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| Substituents | alcoholcarbonyl groupcarboxylic acidpyran carboxylic acid or derivativescarboxylic acid derivativeoxacycleorganic oxidemethyl esterorganic oxygen compoundcarboxylic acid esteraliphatic heteromonocyclic compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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