| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:08:18 UTC |
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| Update Date | 2025-03-21 18:30:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00082119 |
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| Frequency | 35.2 |
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| Structure | |
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| Chemical Formula | C12H12O5 |
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| Molecular Mass | 236.0685 |
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| SMILES | O=C1OCC2COC(c3ccc(O)c(O)c3)C12 |
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| InChI Key | AMQNORFHUAARAQ-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 | furofurans |
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| Subclass | furofurans |
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| Direct Parent | furofurans |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzene and substituted derivativescarbonyl compoundscarboxylic acid estersdialkyl ethersgamma butyrolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundstetrahydrofurans |
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| Substituents | monocyclic benzene moietycarbonyl groupethertetrahydrofuran1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativedialkyl ethergamma butyrolactonelactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundfurofurancarboxylic acid esterphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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