| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 17:09:10 UTC |
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| Update Date | 2025-03-25 01:43:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02500454 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H6O2 |
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| Molecular Mass | 110.0368 |
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| SMILES | CC1=C=C(C)C(=O)O1 |
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| InChI Key | QEAKBEXQITVHQC-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 | lactones |
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| Subclass | lactones |
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| Direct Parent | lactones |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compounds |
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| Substituents | carbonyl groupcarboxylic acid derivativelactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteraliphatic heteromonocyclic compoundhydrocarbon derivativeorganooxygen compound |
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