| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:59:16 UTC |
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| Update Date | 2025-03-21 18:06:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00060446 |
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| Frequency | 51.8 |
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| Structure | |
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| Chemical Formula | C16H16O6 |
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| Molecular Mass | 304.0947 |
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| SMILES | COc1cc(CC(Oc2ccc(O)cc2)C(=O)O)ccc1O |
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| InChI Key | YCOXVPJTSYPCDA-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 homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids4-alkoxyphenolsalkyl aryl ethersanisolescarbonyl compoundscarboxylic acidshydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundsphenylpropanoic acids |
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| Substituents | phenol etherphenoxyacetate4-alkoxyphenolcarbonyl groupethercarboxylic acid3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethercarboxylic acid derivativemethoxybenzenearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundanisolephenolhydrocarbon derivativephenoxy compoundorganooxygen compound |
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