| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:00 UTC |
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| Update Date | 2025-03-25 00:46:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153498 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H12O4 |
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| Molecular Mass | 232.0736 |
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| SMILES | COc1ccc(C=CC(=O)C(=O)C(C)=O)cc1 |
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| InChI Key | SLQKXJMGAZWQRZ-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-diketonesanisolesenoneshydrocarbon derivativesmethoxybenzenesorganic oxidesphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetheralkyl aryl etheralpha,beta-unsaturated ketonemethoxybenzenealpha-diketoneketonearomatic homomonocyclic compoundcinnamic acid or derivativesorganic oxideorganic oxygen compoundanisolehydrocarbon derivativebenzenoidacryloyl-groupphenoxy compoundorganooxygen compoundenone |
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