| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:15 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 | DMID02163008 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H20O8 |
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| Molecular Mass | 316.1158 |
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| SMILES | O=C(CCC(O)Cc1ccc(O)c(O)c1)OOCC(O)CO |
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| InChI Key | UUVDNQRUFVKGHH-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 homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-4-unsubstituted benzenoidsbenzene and substituted derivativescarbonyl compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesperoxycarboxylic acids and derivativesprimary alcoholssecondary alcohols |
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| Substituents | alcoholmonocyclic benzene moietycarbonyl group1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundperoxycarboxylic acid or derivativessecondary alcoholhydrocarbon derivativeprimary alcoholorganooxygen compound |
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