| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:58:10 UTC |
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| Update Date | 2025-03-21 18:05:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00057806 |
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| Frequency | 54.8 |
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| Structure | |
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| Chemical Formula | C13H14O5 |
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| Molecular Mass | 250.0841 |
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| SMILES | O=C(O)COc1cccc(CC2CCC(=O)O2)c1 |
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| InChI Key | BBTIPNFRRPFLQR-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 etherscarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesgamma butyrolactoneshydrocarbon derivativesorganic oxidesoxacyclic compoundsphenol ethersphenoxy compoundstetrahydrofurans |
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| Substituents | phenol etherphenoxyacetatecarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundtetrahydrofuranalkyl aryl ethercarboxylic acid derivativegamma butyrolactonelactoneoxacycleorganic oxideorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativephenoxy compoundorganoheterocyclic compoundorganooxygen compound |
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