| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:59:57 UTC |
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| Update Date | 2025-03-21 18:06:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00062116 |
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| Frequency | 50.0 |
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| Structure | |
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| Chemical Formula | C6H6O5 |
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| Molecular Mass | 158.0215 |
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| SMILES | O=C1CCC(C(=O)O)OC1=O |
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| InChI Key | ZCAACEZPABRBLL-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 acid esterscarboxylic acidscyclic ketonesdelta valerolactonesdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesoxacyclic compoundsoxanes |
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| Substituents | carbonyl groupcarboxylic acidpyran carboxylic acid or derivativesdelta valerolactonecyclic ketonecarboxylic acid derivativeketonelactoneoxacycleorganic oxideorganic oxygen compoundcarboxylic acid esteraliphatic heteromonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativeoxanedelta_valerolactoneorganooxygen compound |
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