| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:04:03 UTC |
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| Update Date | 2025-03-25 00:55:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02210659 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H12O3 |
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| Molecular Mass | 204.0786 |
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| SMILES | CC(=O)CC(=O)C=C(O)c1ccccc1 |
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| InChI Key | FEVFTHBEKYFLHE-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 compoundsbenzene and substituted derivativesenoneshydrocarbon derivativesketonesorganic oxidesvinylogous acids |
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| Substituents | monocyclic benzene moietycarbonyl groupalpha,beta-unsaturated ketoneketonearomatic homomonocyclic compoundvinylogous acidcinnamic acid or derivativesorganic oxideorganic oxygen compoundhydrocarbon derivativebenzenoidacryloyl-grouporganooxygen compoundenone |
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