| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:22 UTC |
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| Update Date | 2025-03-25 00:46:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156625 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H14O2 |
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| Molecular Mass | 202.0994 |
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| SMILES | C=CC(=O)Cc1c(C=O)ccc(C)c1C |
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| InChI Key | QMQAXUNUWCPIRJ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzoyl derivatives |
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| Direct Parent | benzoyl derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acryloyl compoundsbenzaldehydesenoneshydrocarbon derivativesketonesorganic oxideso-xylenes |
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| Substituents | carbonyl groupbenzoylaldehydealpha,beta-unsaturated ketoneketonearomatic homomonocyclic compoundxylenebenzaldehydeorganic oxideo-xylenearyl-aldehydeorganic oxygen compoundhydrocarbon derivativeacryloyl-grouporganooxygen compoundenone |
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