| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:58 UTC |
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| Update Date | 2025-03-25 00:51:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02187592 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H18O2 |
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| Molecular Mass | 206.1307 |
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| SMILES | CC(C)(C)c1cccc(C(O)CC=O)c1 |
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| InChI Key | ZWCNWEMFLMEJKW-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 | phenylpropanes |
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| Direct Parent | phenylpropanes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha-hydrogen aldehydesaromatic alcoholsbeta-hydroxy aldehydeshydrocarbon derivativesorganic oxidessecondary alcohols |
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| Substituents | aromatic alcoholalcoholbeta-hydroxy aldehydecarbonyl groupaldehydephenylpropanearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundalpha-hydrogen aldehydesecondary alcoholhydrocarbon derivativeorganooxygen compound |
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