| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:01 UTC |
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| Update Date | 2025-03-25 00:56:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219914 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H10O4 |
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| Molecular Mass | 170.0579 |
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| SMILES | COC(=O)CC1C=CCC(=O)O1 |
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| InChI Key | IEXXAHBFYSCSLE-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 compoundsdicarboxylic acids and derivativeshydrocarbon derivativeslactonesmethyl estersorganic oxidesoxacyclic compounds |
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| Substituents | carbonyl groupdihydropyranonecarboxylic acid derivativelactoneoxacycleorganic oxidemethyl esterorganic oxygen compoundcarboxylic acid esteraliphatic heteromonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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