| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:01 UTC |
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| Update Date | 2025-03-25 00:46:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153527 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H13NO5 |
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| Molecular Mass | 299.0794 |
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| SMILES | COc1ccc(C=CC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 |
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| InChI Key | YXRNMWCADUELTD-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 | cinnamic acids and derivatives |
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| Direct Parent | cinnamic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolescarbonyl compoundsenoate estersfatty acid estershydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesnitroaromatic compoundsnitrobenzenesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundsphenol estersphenoxy compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupetherallyl-type 1,3-dipolar organic compoundalkyl aryl ethercarboxylic acid derivativeorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundalpha,beta-unsaturated carboxylic estercinnamic acid or derivativesorganic oxidec-nitro compoundorganonitrogen compoundorganopnictogen compoundorganic oxoazaniumnitrobenzenenitroaromatic compoundenoate esterorganic 1,3-dipolar compoundmethoxybenzenearomatic homomonocyclic compoundfatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid esterphenol esterhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compoundorganic hyponitrite |
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