| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:30 UTC |
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| Update Date | 2025-03-25 00:46:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156908 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H6O7 |
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| Molecular Mass | 202.0114 |
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| SMILES | O=C1C=C(C(=O)O)OC(O)(C(=O)O)C1 |
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| InChI Key | CCKDQMKSJIMVJC-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 | alpha hydroxy acids and derivativescarboxylic acidscyclic ketonesdicarboxylic acids and derivativesdihydropyranoneshemiacetalshydrocarbon derivativesorganic oxidesoxacyclic compoundsvinylogous esters |
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| Substituents | carbonyl groupcarboxylic acidpyran carboxylic acid or derivativesdihydropyranonevinylogous esteralpha-hydroxy acidcyclic ketonehydroxy acidcarboxylic acid derivativeketoneoxacycleorganic oxideorganic oxygen compoundaliphatic heteromonocyclic compoundpyranonedicarboxylic acid or derivativeshemiacetalhydrocarbon derivativeorganooxygen compound |
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