| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:39 UTC |
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| Update Date | 2025-03-25 01:01:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02250914 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16O6 |
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| Molecular Mass | 268.0947 |
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| SMILES | O=C(O)CCCOC(CO)c1ccccc1C(=O)O |
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| InChI Key | WVLHIPDAGXCUNK-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 | benzylethers |
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| Direct Parent | benzylethers |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsbenzoic acidsbenzoyl derivativescarbonyl compoundsdialkyl ethersdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesprimary alcohols |
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| Substituents | alcoholcarbonyl groupethercarboxylic acidbenzyletherbenzoylbenzoic acid or derivativescarboxylic acid derivativedialkyl etheraromatic homomonocyclic compoundorganic oxideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivative1-carboxy-2-haloaromatic compoundbenzoic acidprimary alcoholorganooxygen compound |
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