| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:13 UTC |
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| Update Date | 2025-03-25 00:48:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02169785 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H12O5 |
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| Molecular Mass | 236.0685 |
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| SMILES | CCOC(=O)C=C(O)c1ccccc1C(=O)O |
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| InChI Key | FKCBAMKOLIUCTI-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 | 1-carboxy-2-haloaromatic compoundsbenzoic acidsbenzoyl derivativescarbonyl compoundsdicarboxylic acids and derivativesenoate estersfatty acid estershydrocarbon derivativesorganic oxidesvinylogous acids |
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| Substituents | enoate esterfatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidbenzoylbenzoic acid or derivativescarboxylic acid derivativearomatic homomonocyclic compoundalpha,beta-unsaturated carboxylic esterfatty acid estervinylogous acidcinnamic acid or derivativesorganic oxideorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativebenzenoid1-carboxy-2-haloaromatic compoundbenzoic acidorganooxygen compound |
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