| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:41:50 UTC |
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| Update Date | 2025-03-21 17:59:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00019428 |
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| Frequency | 210.9 |
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| Structure | |
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| Chemical Formula | C13H14O6 |
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| Molecular Mass | 266.079 |
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| SMILES | COC(=O)c1ccccc1C(=O)OCCCC(=O)O |
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| InChI Key | LQRFRYWTEBOKSP-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 | benzoic acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | benzoyl derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmethyl estersorganic oxidestricarboxylic acids and derivatives |
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| Substituents | carbonyl groupcarboxylic acidbenzoyltricarboxylic acid or derivativesbenzoate estercarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemethyl esterorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganooxygen compound |
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