| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:47 UTC |
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| Update Date | 2025-03-21 18:40:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00128913 |
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| Frequency | 19.8 |
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| Structure | |
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| Chemical Formula | C7H8O5 |
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| Molecular Mass | 172.0372 |
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| SMILES | O=C(O)CC1(O)C=COC(=O)C1 |
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| InChI Key | YWTQFABMSQUSJM-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 | pyranones and derivatives |
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| Direct Parent | dihydropyranones |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesenol estershydrocarbon derivativeslactonesorganic oxidesoxacyclic compoundstertiary alcohols |
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| Substituents | alcoholcarbonyl groupcarboxylic aciddihydropyranonecarboxylic acid derivativelactoneoxacycletertiary alcoholorganic oxideorganic oxygen compoundcarboxylic acid esteraliphatic heteromonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativeenol esterorganooxygen compound |
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