| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:59:29 UTC |
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| Update Date | 2025-03-21 18:06:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00060980 |
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| Frequency | 51.2 |
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| Structure | |
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| Chemical Formula | C12H12O4 |
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| Molecular Mass | 220.0736 |
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| SMILES | O=C1CC(=O)C(Cc2cccc(O)c2)CO1 |
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| InChI Key | MCXSVIFTDSGMTK-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 | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzene and substituted derivativescarboxylic acid esterscyclic ketoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxanes |
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| Substituents | monocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compounddelta valerolactone1-hydroxy-2-unsubstituted benzenoidcyclic ketone1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativeketoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterphenolhydrocarbon derivativebenzenoidoxanedelta_valerolactoneorganooxygen compound |
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