| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:21 UTC |
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| Update Date | 2025-03-21 18:05:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00055876 |
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| Frequency | 57.2 |
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| Structure | |
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| Chemical Formula | C12H16O6 |
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| Molecular Mass | 256.0947 |
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| SMILES | COC(=O)CCC(O)Cc1cc(O)c(O)c(O)c1 |
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| InChI Key | SIMATAYGHWKNFA-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 homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzene and substituted derivativescarbonyl compoundsfatty acid methyl estershydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxidessecondary alcohols |
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| Substituents | alcoholfatty acylmonocyclic benzene moietycarbonyl grouppyrogallol derivative1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativearomatic homomonocyclic compoundfatty acid esterorganic oxidemonocarboxylic acid or derivativesfatty acid methyl estermethyl esterorganic oxygen compoundcarboxylic acid estersecondary alcoholhydrocarbon derivativeorganooxygen compound |
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