| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:24 UTC |
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| Update Date | 2025-03-21 18:39:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00125597 |
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| Frequency | 20.4 |
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| Structure | |
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| Chemical Formula | C11H10O4 |
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| Molecular Mass | 206.0579 |
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| SMILES | COc1ccc(C=CC(=O)C(=O)O)cc1 |
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| InChI Key | SHVBLFWLPMOIIO-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | cinnamic acids and derivatives |
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| Subclass | cinnamic acids and derivatives |
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| Direct Parent | cinnamic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acryloyl compoundsalkyl aryl ethersalpha-hydroxy ketonesalpha-keto acids and derivativesanisolescarboxylic acidsenoneshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidalkyl aryl etheralpha,beta-unsaturated ketonealpha-hydroxy ketonecarboxylic acid derivativeketonecinnamic acid or derivativesorganic oxidealpha-keto acidenonemethoxybenzenearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisoleketo acidhydrocarbon derivativebenzenoidacryloyl-groupphenoxy compoundorganooxygen compound |
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