| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:59 UTC |
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| Update Date | 2025-03-21 18:04:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00048108 |
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| Frequency | 69.0 |
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| Structure | |
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| Chemical Formula | C11H12O6 |
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| Molecular Mass | 240.0634 |
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| SMILES | O=C(O)CCCOC(=O)c1cc(O)ccc1O |
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| InChI Key | WXRKJTJKSDJFIQ-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 | benzoic acids and derivatives |
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| Direct Parent | o-hydroxybenzoic acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsbenzoyl derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativeshydroquinonesorganic oxidessalicylic acid and derivativesvinylogous acidsm-hydroxybenzoic acid esters |
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| Substituents | carbonyl groupcarboxylic acidbenzoyl1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativehydroquinonearomatic homomonocyclic compoundvinylogous acidorganic oxideorganic oxygen compoundsalicylic acid or derivativeso-hydroxybenzoic acid estercarboxylic acid esterdicarboxylic acid or derivativesphenolhydrocarbon derivativem-hydroxybenzoic acid esterorganooxygen compound |
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