| 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 00:47:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163043 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H20O13 |
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| Molecular Mass | 432.0904 |
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| SMILES | O=C(CCC(O)Cc1cc(O)c(O)c(O)c1)OC1OC(C(=O)O)OC(C(=O)O)C1O |
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| InChI Key | ACOZMMFLVRDHBR-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 | phenols |
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| Subclass | benzenetriols and derivatives |
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| Direct Parent | pyrogallols and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,3-dioxanes1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsbenzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsfatty acid estershydrocarbon derivativesorganic oxidesoxacyclic compoundssecondary alcoholstricarboxylic acids and derivatives |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidtricarboxylic acid or derivativescarboxylic acid derivativebeta-hydroxy acidorganic oxideacetalorganoheterocyclic compoundalcoholpyrogallol derivativehydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacyclefatty acid esterorganic oxygen compoundcarboxylic acid estersecondary alcoholhydrocarbon derivativemeta-dioxaneorganooxygen compound |
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