| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:16 UTC |
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| Update Date | 2025-03-25 00:47:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163068 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H24O13 |
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| Molecular Mass | 460.1217 |
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| SMILES | O=C(CCC(O)Cc1ccc(O)c(O)c1)OC1C(C(=O)O)OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | KDVINBVHAAUGPS-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 | carboxylic acids and derivatives |
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| Subclass | tricarboxylic acids and derivatives |
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| Direct Parent | tricarboxylic 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 benzenoidsbenzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdialkyl ethersfatty acid estershydrocarbon derivativesorganic oxidesoxacyclic compoundsoxepanessecondary alcohols |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidtricarboxylic acid or derivativesdialkyl etherbeta-hydroxy acidorganic oxideorganoheterocyclic compoundalcoholhydroxy acid1-hydroxy-4-unsubstituted benzenoidoxepaneoxacyclefatty acid esterorganic oxygen compoundcarboxylic acid estersecondary alcoholphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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