| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:55:12 UTC |
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| Update Date | 2025-03-25 00:51:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02190367 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H22O2 |
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| Molecular Mass | 246.162 |
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| SMILES | CC(=CCCC(=O)O)c1ccc(C(C)(C)C)cc1 |
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| InChI Key | MDXUMYFHRLPNIB-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 | branched fatty acidscarbocyclic fatty acidscarbonyl compoundscarboxylic acidsfatty acylshydrocarbon derivativesmedium-chain fatty acidsmonocarboxylic acids and derivativesorganic oxidesphenylpropanes |
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| Substituents | fatty acylcarbocyclic fatty acidcarbonyl groupcarboxylic acidcarboxylic acid derivativebranched fatty acidphenylpropanearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundphenylpropenehydrocarbon derivativemedium-chain fatty acidorganooxygen compound |
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