| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:34 UTC |
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| Update Date | 2025-03-25 00:56:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221169 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14O7 |
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| Molecular Mass | 270.074 |
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| SMILES | O=C(O)C1OC(c2ccc(O)c(CO)c2)C(O)C1O |
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| InChI Key | NQAIMWREUBGBPP-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzyl alcohols |
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| Direct Parent | benzyl alcohols |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsaromatic alcoholsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkyl ethershydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundssecondary alcoholstetrahydrofurans |
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| Substituents | aromatic alcoholcarbonyl groupethercarboxylic acidaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativedialkyl etherbeta-hydroxy acidsaccharideorganic oxideorganoheterocyclic compoundalcoholtetrahydrofuranhydroxy acidbenzyl alcoholoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholphenolhydrocarbon derivativeorganooxygen compound |
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