| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:36 UTC |
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| Update Date | 2025-03-25 00:55:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02214302 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16O5 |
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| Molecular Mass | 252.0998 |
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| SMILES | CCOC(=O)c1c(C)c(O)c(C)c(C)c1C(=O)O |
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| InChI Key | LKAFDRLOPQTNNI-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 compoundsbenzoic acidsbenzoyl derivativescarboxylic acid estersdicarboxylic acids and derivativeshydrocarbon derivativeshydroxybenzoic acid derivativesmeta cresolsorganic oxidesorganooxygen compoundsortho cresolsphenols |
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| Substituents | carboxylic acidm-cresolbenzoylcarboxylic acid derivativehydroxybenzoic acidaromatic homomonocyclic compoundorganic oxideorganic oxygen compoundcarboxylic acid estero-cresoldicarboxylic acid or derivativesphenolhydrocarbon derivative1-carboxy-2-haloaromatic compoundbenzoic acidm-hydroxybenzoic acid esterorganooxygen compound |
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