| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:54 UTC |
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| Update Date | 2025-03-25 00:57:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02224236 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H9NO7 |
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| Molecular Mass | 279.0379 |
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| SMILES | O=C(C=Cc1ccc(O)c([N+](=O)[O-])c1)CC(=O)C(=O)O |
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| InChI Key | RZNIBGLUMCAPIN-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 benzenoids3-acylpyruvic acidsacryloyl compoundsalpha-hydroxy ketonesalpha-keto acids and derivativescarbocyclic fatty acidscarboxylic acidsenonesfatty acylshydrocarbon derivativeshydroxy fatty acidsmedium-chain keto acids and derivativesmonocarboxylic acids and derivativesnitro fatty acidsnitroaromatic compoundsnitrobenzenesnitrophenolsorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | fatty acylcarbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acidallyl-type 1,3-dipolar organic compound1-hydroxy-2-unsubstituted benzenoidalpha,beta-unsaturated ketonealpha-hydroxy ketonecarboxylic acid derivativeorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundketonenitro fatty acidorganic oxidec-nitro compoundorganonitrogen compoundalpha-keto acidorganopnictogen compoundhydroxy fatty acidorganic oxoazaniumnitrophenolnitrobenzeneenonenitroaromatic compound3-acylpyruvic acidorganic 1,3-dipolar compoundhydroxycinnamic acidgamma-keto acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundketo acidphenolhydrocarbon derivativebenzenoidacryloyl-grouporganic nitrogen compoundorganooxygen compoundorganic hyponitritemedium-chain keto acid |
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