| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 10:08:30 UTC |
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| Update Date | 2025-03-24 20:37:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01510141 |
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| Frequency | 0.8 |
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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=C(O)CC1=CCC(=O)O1 |
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| InChI Key | ZPEHSARSWGDCEX-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | dicarboxylic acids and derivatives |
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| Direct Parent | dicarboxylic acids and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsdihydrofuransenol estershydrocarbon derivativeslactonesorganic oxidesoxacyclic compounds |
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| Substituents | carbonyl groupcarboxylic acidlactoneoxacycleorganic oxideorganic oxygen compoundcarboxylic acid esteraliphatic heteromonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativeenol esterorganoheterocyclic compoundorganooxygen compounddihydrofuran |
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