| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:05 UTC |
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| Update Date | 2025-03-25 00:50:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181002 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14O7 |
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| Molecular Mass | 270.074 |
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| SMILES | O=C(O)CCC(OCc1ccc(O)c(O)c1)C(=O)O |
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| InChI Key | AVFSHIJGNJZORW-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 | benzene and substituted derivatives |
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| Subclass | benzylethers |
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| Direct Parent | benzylethers |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidscarbonyl compoundscarboxylic acidsdialkyl ethersdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxides |
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| Substituents | carbonyl groupethercarboxylic acidbenzylether1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativedialkyl etheraromatic homomonocyclic compoundorganic oxideorganic oxygen compounddicarboxylic acid or derivativesphenolhydrocarbon derivativeorganooxygen compound |
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