| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:07:43 UTC |
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| Update Date | 2025-03-21 18:30:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00080744 |
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| Frequency | 36.0 |
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| Structure | |
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| Chemical Formula | C12H14O2 |
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| Molecular Mass | 190.0994 |
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| SMILES | C=CC(=O)Cc1c(C)ccc(O)c1C |
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| InChI Key | IFFUANRKXPHDTC-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 | phenols |
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| Subclass | cresols |
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| Direct Parent | para cresols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsacryloyl compoundsenoneshydrocarbon derivativesketonesorganic oxidesortho cresolsm-xylenes |
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| Substituents | monocyclic benzene moietycarbonyl groupm-xylene1-hydroxy-2-unsubstituted benzenoidalpha,beta-unsaturated ketoneketonearomatic homomonocyclic compoundxyleneorganic oxideorganic oxygen compoundp-cresolo-cresolhydrocarbon derivativeacryloyl-grouporganooxygen compoundenone |
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