| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:55 UTC |
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| Update Date | 2025-03-25 00:49:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02171397 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H19NO6 |
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| Molecular Mass | 321.1212 |
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| SMILES | CC(=O)NC(CCC(=O)O)COC(=O)C=Cc1ccc(O)cc1 |
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| InChI Key | DCRMBAPRSWXXPW-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 | 1-hydroxy-2-unsubstituted benzenoidsacetamidesbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesenoate estersfatty acid estersgamma amino acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidgamma amino acid or derivatives1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativealpha,beta-unsaturated carboxylic esterorganic oxideorganonitrogen compoundorganopnictogen compoundacetamideenoate estercarboxamide grouphydroxycinnamic acidaromatic homomonocyclic compoundsecondary carboxylic acid amidefatty acid esterorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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