| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:01 UTC |
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| Update Date | 2025-03-25 01:01:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02249430 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H24N2O6 |
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| Molecular Mass | 352.1634 |
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| SMILES | COc1cc(C=CC(=O)NCCCCC(N)C(=O)O)cc(OC)c1O |
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| InChI Key | CKIMHRJTALIUDX-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 | cinnamic acids and derivatives |
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| Subclass | hydroxycinnamic acids and derivatives |
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| Direct Parent | hydroxycinnamic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersalpha amino acidsamino fatty acidsanisolescarbocyclic fatty acidscarbonyl compoundscarboxylic acidsdimethoxybenzenesfatty acylshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmethoxyphenolsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylcarbocyclic fatty acidphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidmethoxyphenolalpha-amino acid or derivativesalkyl aryl ethercarboxylic acid derivativemedium-chain hydroxy aciddimethoxybenzeneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidcarboxamide groupamino fatty acidmethoxybenzenehydroxycinnamic acidaromatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundm-dimethoxybenzeneanisolephenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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