| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:02 UTC |
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| Update Date | 2025-03-25 00:46:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02155903 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H26NO3+ |
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| Molecular Mass | 280.1907 |
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| SMILES | C[N+](C)(C)CCCCC(O)(CC(=O)O)c1ccccc1 |
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| InChI Key | RTEREBZILJABEA-UHFFFAOYSA-O |
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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 | aminesamino fatty acidsaromatic alcoholsbenzene and substituted derivativescarbocyclic fatty acidscarbonyl compoundscarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundstertiary alcoholstetraalkylammonium salts |
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| Substituents | aromatic alcoholfatty acylcarbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidfatty acidcarboxylic acid derivativemedium-chain hydroxy acidorganic oxideorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidorganic cationorganic saltalcoholtetraalkylammonium saltquaternary ammonium saltamino fatty acidaromatic homomonocyclic compoundtertiary alcoholmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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