| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:03 UTC |
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| Update Date | 2025-03-25 00:57:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02224552 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H12O7 |
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| Molecular Mass | 256.0583 |
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| SMILES | O=C(O)C(O)CC(C(=O)O)c1ccc(O)cc1O |
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| InChI Key | KGRQLYVRQUXHHB-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 | benzenediols |
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| Direct Parent | resorcinols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalpha hydroxy acids and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidessecondary alcohols |
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| Substituents | alcoholmonocyclic benzene moietycarbonyl groupcarboxylic acidalpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidhydroxy acid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativeresorcinolaromatic homomonocyclic compoundorganic oxideorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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