| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:27 UTC |
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| Update Date | 2025-03-25 00:51:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02188663 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H10O5 |
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| Molecular Mass | 186.0528 |
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| SMILES | CC1(C(=O)O)CC=CC(C(=O)O)O1 |
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| InChI Key | IQYHLTKFDDNFQO-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 acidsdialkyl ethersdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesoxacyclic compounds |
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| Substituents | carbonyl groupethercarboxylic acidpyran carboxylic acid or derivativescarboxylic acid derivativedialkyl etheroxacycleorganic oxideorganic oxygen compoundaliphatic heteromonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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