| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:32 UTC |
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| Update Date | 2025-03-25 00:46:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156986 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H12O8 |
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| Molecular Mass | 284.0532 |
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| SMILES | O=C1C(O)C(C(=O)O)OC(c2ccc(O)c(O)c2)C1O |
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| InChI Key | OSPXNGVTOCBAIF-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 | pyrans |
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| Subclass | pyran carboxylic acids and derivatives |
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| Direct Parent | pyran carboxylic acids |
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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 derivativesbeta hydroxy acids and derivativescarboxylic acidscyclic ketonesdialkyl ethershydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanessecondary alcohols |
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| Substituents | monocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidmonosaccharidecyclic ketonecarboxylic acid derivativedialkyl etherketonebeta-hydroxy acidsaccharideorganic oxideoxanealcoholpyran carboxylic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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