| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:17 UTC |
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| Update Date | 2025-03-25 00:48:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02169940 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H12O5 |
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| Molecular Mass | 224.0685 |
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| SMILES | CCOC(=O)c1c(C)ccc(O)c1C(=O)O |
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| InChI Key | SCXUCNPZPXFWRU-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 | m-hydroxybenzoic acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoidsbenzoic acidsbenzoyl derivativescarboxylic acid estersdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganooxygen compoundspara cresolssalicylic acidstoluenesvinylogous acids |
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| Substituents | carboxylic acidbenzoyl1-hydroxy-2-unsubstituted benzenoidsalicylic acidcarboxylic acid derivativeorganic oxidep-cresol1-carboxy-2-haloaromatic compoundbenzoic acidm-hydroxybenzoic acid esterhydroxybenzoic acidaromatic homomonocyclic compoundvinylogous acidorganic oxygen compoundsalicylic acid or derivativescarboxylic acid esterdicarboxylic acid or derivativesphenolhydrocarbon derivativetolueneorganooxygen compound |
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