| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:54 UTC |
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| Update Date | 2025-03-25 00:50:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02178331 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H18O4 |
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| Molecular Mass | 238.1205 |
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| SMILES | COC(=O)C(C)c1cccc(C(O)C(C)O)c1 |
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| InChI Key | FNOPWMFJYVKOAJ-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 | 1,2-diolsaromatic alcoholscarbonyl compoundshydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxidessecondary alcohols |
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| Substituents | aromatic alcoholalcoholcarbonyl groupcarboxylic acid derivativephenylpropanearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundcarboxylic acid estersecondary alcoholhydrocarbon derivativeorganooxygen compound1,2-diol |
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