| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:50 UTC |
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| Update Date | 2025-03-21 18:40:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00129031 |
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| Frequency | 19.7 |
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| Structure | |
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| Chemical Formula | C11H12O5 |
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| Molecular Mass | 224.0685 |
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| SMILES | O=C1CC(O)CC(c2ccc(O)c(O)c2)O1 |
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| InChI Key | SZGQYBGXIHQREJ-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 derivativescarbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxanessecondary alcohols |
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| Substituents | alcoholmonocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compounddelta valerolactone1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativeoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholphenolhydrocarbon derivativebenzenoidoxanedelta_valerolactoneorganooxygen compound |
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