| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:06:54 UTC |
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| Update Date | 2025-03-25 00:56:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02217298 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H20O12 |
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| Molecular Mass | 404.0955 |
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| SMILES | O=C(Cc1ccc(O)c(O)c1)OCOC1OC(C(O)C(=O)O)C(O)C(O)C1O |
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| InChI Key | WOUAYLZUIUWZQU-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 | 1-hydroxy-2-unsubstituted benzenoids |
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| Direct Parent | 1-hydroxy-2-unsubstituted benzenoids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-4-unsubstituted benzenoidsacetalsalpha hydroxy acids and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanessecondary alcohols |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundalpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativesaccharideorganic oxideacetaloxaneorganoheterocyclic compoundalcoholhydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacycleorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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