| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:47 UTC |
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| Update Date | 2025-03-25 00:46:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152971 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14O4 |
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| Molecular Mass | 222.0892 |
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| SMILES | C=CCCOC(=O)c1cc(OC)ccc1O |
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| InChI Key | NPBISCACHNPNCO-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 | benzoic acids and derivatives |
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| Direct Parent | m-methoxybenzoic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids4-alkoxyphenolsalkyl aryl ethersanisolesbenzoyl derivativescarboxylic acid estershydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundssalicylic acid and derivativesvinylogous acidso-hydroxybenzoic acid esters |
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| Substituents | phenol etheretherbenzoylmethoxyphenol1-hydroxy-2-unsubstituted benzenoidbenzoate esteralkyl aryl ethercarboxylic acid derivativeorganic oxidem-methoxybenzoic acid or derivatives4-alkoxyphenolmethoxybenzenearomatic homomonocyclic compoundvinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundsalicylic acid or derivativeso-hydroxybenzoic acid esteranisolecarboxylic acid esterphenolhydrocarbon derivativephenoxy compoundorganooxygen compound |
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