| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 01:27:51 UTC |
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| Update Date | 2025-03-21 19:17:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00268626 |
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| Frequency | 7.6 |
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| Structure | |
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| Chemical Formula | C6H6O3 |
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| Molecular Mass | 126.0317 |
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| SMILES | CC1OC(=O)C=CC1=O |
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| InChI Key | CFPUUQQSWUXBIL-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 | alpha-acyloxy ketonescyclic ketonesenoate estershydrocarbon derivativeslactonesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compounds |
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| Substituents | enoate estercarbonyl groupalpha-acyloxy ketonedihydropyranonecyclic ketonecarboxylic acid derivativeketonelactoneoxacyclealpha,beta-unsaturated carboxylic esterorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteraliphatic heteromonocyclic compoundhydrocarbon derivativeorganooxygen compound |
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