| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:03:26 UTC |
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| Update Date | 2025-03-21 18:28:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00070380 |
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| Frequency | 49.9 |
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| Structure | |
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| Chemical Formula | C13H17NO3 |
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| Molecular Mass | 235.1208 |
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| SMILES | O=C(O)CCCCCN=C(O)c1ccccc1 |
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| InChI Key | LFCIOBCYMAQQBT-UHFFFAOYSA-N |
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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 | amino fatty acidsbenzene and substituted derivativescarbonyl compoundscarboximidic acidscarboxylic acidshydrocarbon derivativesmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | carbocyclic fatty acidcarboximidic acidmonocyclic benzene moietycarbonyl groupcarboxylic acidorganic 1,3-dipolar compoundcarboxylic acid derivativeamino fatty acidmedium-chain hydroxy acidpropargyl-type 1,3-dipolar organic compoundaromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativemedium-chain fatty acidbenzenoidorganic nitrogen compoundorganooxygen compound |
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