| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:19 UTC |
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| Update Date | 2025-03-21 18:33:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00096369 |
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| Frequency | 28.7 |
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| Structure | |
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| Chemical Formula | C18H24O12 |
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| Molecular Mass | 432.1268 |
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| SMILES | O=C(CCC(=O)OCOC1OC(C(O)O)C(O)C(O)C1O)Cc1ccc(O)c(O)c1 |
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| InChI Key | YNJRPGAXGDYXAN-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | keto acids and derivatives |
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| Subclass | gamma-keto acids and derivatives |
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| Direct Parent | gamma-keto acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsbenzene and substituted derivativescarbonyl hydratescarboxylic acid estersfatty acid estershydrocarbon derivativesketonesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanessecondary alcohols |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarbonyl hydratearomatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativeketonesaccharideorganic oxideacetaloxaneorganoheterocyclic compoundalcohol1-hydroxy-4-unsubstituted benzenoidgamma-keto acidoxacyclefatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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