| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:51:29 UTC |
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| Update Date | 2025-03-21 18:03:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00042059 |
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| Frequency | 81.4 |
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| Structure | |
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| Chemical Formula | C11H12O3 |
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| Molecular Mass | 192.0786 |
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| SMILES | O=C(O)CC(O)C=Cc1ccccc1 |
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| InChI Key | JKDYSKHGCXBPQC-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | cinnamyl alcohols |
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| Subclass | cinnamyl alcohols |
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| Direct Parent | cinnamyl alcohols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | benzene and substituted derivativesbeta hydroxy acids and derivativescarbocyclic fatty acidscarbonyl compoundscarboxylic acidsfatty acylshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcohols |
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| Substituents | alcoholfatty acylcarbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acidcinnamyl alcoholhydroxy acidcarboxylic acid derivativemedium-chain hydroxy acidaromatic homomonocyclic compoundbeta-hydroxy acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativemedium-chain fatty acidhydroxy fatty acidbenzenoidorganooxygen compound |
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