| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:53 UTC |
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| Update Date | 2025-03-25 01:01:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02249120 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H18O8 |
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| Molecular Mass | 338.1002 |
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| SMILES | COc1ccc(CC2CCC(=O)O2)cc1OC(CC(=O)O)C(=O)O |
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| InChI Key | CTQIFSDXASZTPY-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 | phenoxyacetic acid derivatives |
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| Direct Parent | phenoxyacetic acid derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolescarbonyl compoundscarboxylic acid esterscarboxylic acidsgamma butyrolactoneshydrocarbon derivativesmethoxybenzenesorganic oxidesoxacyclic compoundsphenoxy compoundstetrahydrofuranstricarboxylic acids and derivatives |
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| Substituents | phenol etherphenoxyacetatecarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundtricarboxylic acid or derivativesalkyl aryl ethercarboxylic acid derivativelactoneorganic oxideorganoheterocyclic compoundtetrahydrofuranmethoxybenzenegamma butyrolactoneoxacycleorganic oxygen compoundanisolecarboxylic acid esterhydrocarbon derivativephenoxy compoundorganooxygen compound |
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