| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:22 UTC |
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| Update Date | 2025-03-25 00:54:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206638 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14O5 |
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| Molecular Mass | 238.0841 |
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| SMILES | O=C(O)C(O)C(O)C(O)C=Cc1ccccc1 |
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| InChI Key | MWKLUJVYZNNPIX-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 | alpha hydroxy acids and derivativesbenzene and substituted derivativesbeta hydroxy acids and derivativescarbocyclic fatty acidscarbonyl compoundscarboxylic acidsfatty alcoholshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidessecondary alcohols |
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| Substituents | fatty acylcarbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acidalpha-hydroxy acidmonosaccharidecinnamyl alcoholcarboxylic acid derivativemedium-chain hydroxy acidbeta-hydroxy acidsaccharideorganic oxidefatty alcoholmedium-chain fatty acidhydroxy fatty acidalcoholhydroxy acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganooxygen compound |
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