| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:47 UTC |
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| Update Date | 2025-03-25 00:50:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180316 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H28NO6+ |
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| Molecular Mass | 342.1911 |
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| SMILES | C[N+](C)(C)CCOC(CCC(O)Cc1ccc(O)c(O)c1)C(=O)O |
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| InChI Key | SSLNDIUEZBIJQF-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acids and conjugates |
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| Direct Parent | carbocyclic fatty acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsaminesamino fatty acidsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdialkyl ethershydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundssecondary alcoholstetraalkylammonium salts |
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| Substituents | carbocyclic fatty acidmonocyclic benzene moietycarbonyl groupethercarboxylic acid1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativemedium-chain hydroxy aciddialkyl etherorganic oxideorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidorganic cationorganic saltalcoholtetraalkylammonium saltquaternary ammonium salt1-hydroxy-4-unsubstituted benzenoidamino fatty acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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