| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:47 UTC |
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| Update Date | 2025-03-25 00:49:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02178045 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16O2 |
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| Molecular Mass | 204.115 |
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| SMILES | COC(=O)CCC=C(C)c1ccccc1 |
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| InChI Key | BKTFVYUBJSTTCX-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 | phenylpropenes |
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| Direct Parent | phenylpropenes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | carbonyl compoundsfatty acid methyl estershydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | fatty acylcarbonyl groupcarboxylic acid derivativearomatic homomonocyclic compoundfatty acid esterorganic oxidemonocarboxylic acid or derivativesfatty acid methyl estermethyl esterorganic oxygen compoundphenylpropenecarboxylic acid esterhydrocarbon derivativeorganooxygen compound |
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