| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:24 UTC |
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| Update Date | 2025-03-25 00:54:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02209074 |
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| Frequency | 0.5 |
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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 | CC(C)C(=O)OCOC(=O)c1cccc(C(=O)O)c1 |
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| InChI Key | ZMRQIHRTJLMDOG-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-phthalate esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acetalsbenzoic acid estersbenzoic acidsbenzoyl derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidshydrocarbon derivativesm-phthalic acid and derivativesorganic oxidestricarboxylic acids and derivatives |
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| Substituents | meta-phthalic acid estercarbonyl groupcarboxylic acidbenzoyltricarboxylic acid or derivativesbenzoate estercarboxylic acid derivativearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundacetalcarboxylic acid estermeta_phthalic_acidhydrocarbon derivativebenzoic acidorganooxygen compound |
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