| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:41 UTC |
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| Update Date | 2025-03-25 00:56:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221462 |
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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 | O=C(O)CCC(Oc1cc(CC2CCC(=O)O2)ccc1O)C(=O)O |
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| InChI Key | NPYLVDKTMOIZBX-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 | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl etherscarbonyl compoundscarboxylic acid esterscarboxylic acidsgamma butyrolactoneshydrocarbon derivativesorganic oxidesoxacyclic compoundsphenol ethersphenoxy compoundstetrahydrofuranstricarboxylic acids and derivatives |
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| Substituents | phenol etherphenoxyacetatecarbonyl groupethercarboxylic acidaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidtricarboxylic acid or derivativesalkyl aryl ethercarboxylic acid derivativelactoneorganic oxideorganoheterocyclic compoundtetrahydrofurangamma butyrolactoneoxacycleorganic oxygen compoundcarboxylic acid esterphenolhydrocarbon derivativephenoxy compoundorganooxygen compound |
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