| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:42:43 UTC |
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| Update Date | 2025-03-21 17:59:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00021397 |
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| Frequency | 187.1 |
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| Structure | |
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| Chemical Formula | C7H8O2 |
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| Molecular Mass | 124.0524 |
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| SMILES | Cc1cc(C)oc(=O)c1 |
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| InChI Key | IXYLIUKQQQXXON-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 | pyranones and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | heteroaromatic compoundshydrocarbon derivativeslactonesorganic oxidesorganooxygen compoundsoxacyclic compounds |
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| Substituents | lactoneoxacycleorganic oxideorganic oxygen compoundaromatic heteromonocyclic compoundheteroaromatic compoundpyranonehydrocarbon derivativeorganooxygen compound |
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