| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:00 UTC |
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| Update Date | 2025-03-25 00:54:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02203546 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H18O5 |
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| Molecular Mass | 266.1154 |
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| SMILES | O=C(O)CCCCc1cccc(C(O)CC(=O)O)c1 |
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| InChI Key | UWEJJZHXZIMTIW-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 | phenylpropanoic acids |
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| Subclass | phenylpropanoic acids |
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| Direct Parent | phenylpropanoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aromatic alcoholsbenzene and substituted derivativesbeta hydroxy acids and derivativescarbocyclic fatty acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesorganic oxidessecondary alcohols |
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| Substituents | aromatic alcoholalcoholfatty acylcarbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidfatty acidhydroxy acidcarboxylic acid derivativemedium-chain hydroxy acidaromatic homomonocyclic compoundbeta-hydroxy acidorganic oxideorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativemedium-chain fatty acidhydroxy fatty acidbenzenoidorganooxygen compound |
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