| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:56:25 UTC |
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| Update Date | 2025-03-25 00:52:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02193034 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H18O3 |
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| Molecular Mass | 246.1256 |
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| SMILES | CCCC(O)CC(=O)C(C=O)=Cc1ccccc1 |
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| InChI Key | XGCQBEDEWQKNMW-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 compoundsalpha-branched alpha,beta-unsaturated ketonesbenzene and substituted derivativesbeta ketoaldehydesbeta-hydroxy ketonescinnamaldehydesenonesfatty alcoholshydrocarbon derivativesorganic oxidessecondary alcoholsb'-hydroxy-alpha,beta-unsaturated ketones |
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| Substituents | alcoholfatty acylalpha-branched alpha,beta-unsaturated-ketonebeta-hydroxy ketonemonocyclic benzene moietycinnamaldehydecarbonyl groupb'-hydroxy-alpha,beta-unsaturated-ketonebeta-ketoaldehydealdehydealpha,beta-unsaturated ketoneketonearomatic homomonocyclic compoundcinnamic acid or derivativesorganic oxideorganic oxygen compoundfatty alcoholsecondary alcoholhydrocarbon derivativebenzenoidacryloyl-grouporganooxygen compoundenone |
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