| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 03:16:04 UTC |
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| Update Date | 2025-03-21 22:13:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00523093 |
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| Frequency | 3.2 |
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| Structure | |
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| Chemical Formula | C6H6O4 |
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| Molecular Mass | 142.0266 |
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| SMILES | CC1CC(=O)C(=O)C(=O)O1 |
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| InChI Key | FUOGZCYCCIULAP-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 | delta valerolactones |
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| Direct Parent | delta valerolactones |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | carboxylic acid esterscyclic ketoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxanes |
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| Substituents | carbonyl groupdelta valerolactonecyclic ketonecarboxylic acid derivativeketoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteraliphatic heteromonocyclic compoundhydrocarbon derivativeoxanedelta_valerolactoneorganooxygen compound |
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