| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:51:35 UTC |
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| Update Date | 2025-03-21 18:03:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00042308 |
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| Frequency | 80.8 |
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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 | CC(C(=O)O)c1ccc(CC(O)CCC(=O)O)cc1 |
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| InChI Key | XWLMARNEFYEZCG-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 monoterpenoidsbenzene and substituted derivativescarbocyclic fatty acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocyclic monoterpenoidsorganic oxidessecondary alcohols |
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| Substituents | fatty acylcarbocyclic fatty acidmonoterpenoidmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidcarboxylic acidfatty acidp-cymenecarboxylic acid derivativemedium-chain hydroxy acidorganic oxide2-phenylpropanoic-acidmedium-chain fatty acidhydroxy fatty acidalcoholaromatic homomonocyclic compoundorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganooxygen compoundaromatic monoterpenoid |
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