| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:39 UTC |
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| Update Date | 2025-03-25 00:53:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200489 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H16O4 |
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| Molecular Mass | 260.1049 |
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| SMILES | COc1ccc(C=CC(=O)CC2CCC(=O)O2)cc1 |
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| InChI Key | QLSPTDMRCKGADP-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 heteromonocyclic compounds |
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| Alternative Parents | acryloyl compoundsalkyl aryl ethersanisolescarboxylic acid estersenonesgamma butyrolactoneshydrocarbon derivativesketonesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsphenoxy compoundstetrahydrofurans |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetheraromatic heteromonocyclic compoundalkyl aryl etheralpha,beta-unsaturated ketonecarboxylic acid derivativeketonelactonecinnamic acid or derivativesorganic oxideorganoheterocyclic compoundenonetetrahydrofuranmethoxybenzenegamma butyrolactoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid esterhydrocarbon derivativebenzenoidacryloyl-groupphenoxy compoundorganooxygen compound |
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