| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 11:27:09 UTC |
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| Update Date | 2025-03-24 21:11:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01699335 |
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| Frequency | 0.7 |
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| Structure | |
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| Chemical Formula | C6H6O4 |
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| Molecular Mass | 142.0266 |
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| SMILES | O=C1C=C(C(=O)O)COC1 |
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| InChI Key | BDQLKDYWSCJTEI-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 | carboxylic acidscyclic ketonesdialkyl ethersdihydropyranoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compounds |
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| Substituents | carbonyl groupethercarboxylic acidpyran carboxylic acid or derivativesdihydropyranonecyclic ketonecarboxylic acid derivativedialkyl etherketoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaliphatic heteromonocyclic compoundpyranonehydrocarbon derivativeorganooxygen compound |
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