| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:41 UTC |
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| Update Date | 2025-03-25 00:53:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202806 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H12O4 |
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| Molecular Mass | 208.0736 |
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| SMILES | O=C(O)COc1ccc2c(c1)OCCC2 |
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| InChI Key | WAFPPIRYZIDVEY-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 heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyransalkyl aryl etherscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsphenol ethers |
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| Substituents | phenol etherphenoxyacetatecarbonyl groupetherbenzopyrancarboxylic acid1-benzopyranalkyl aryl ethercarboxylic acid derivativeoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundchromanehydrocarbon derivativeorganoheterocyclic compoundorganooxygen compound |
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