| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:10 UTC |
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| Update Date | 2025-03-25 00:50:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181182 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H9NO8 |
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| Molecular Mass | 271.0328 |
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| SMILES | O=C(O)CC(O)c1cc(C(=O)O)c(O)c([N+](=O)[O-])c1 |
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| InChI Key | KIFVVWOCOAOWGL-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | nitrobenzoic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsaromatic alcoholsbenzoic acidsbenzoyl derivativesbeta hydroxy acids and derivativescarbonyl compoundsdicarboxylic acids and derivativeshydrocarbon derivativesnitroaromatic compoundsnitrobenzenesnitrophenolsorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundsphenylpropanoic acidspropargyl-type 1,3-dipolar organic compoundssalicylic acidssecondary alcoholsvinylogous acids |
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| Substituents | aromatic alcoholcarbonyl groupcarboxylic acid3-phenylpropanoic-acidallyl-type 1,3-dipolar organic compoundbenzoylsalicylic acidcarboxylic acid derivativeorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundbeta-hydroxy acidorganic oxidec-nitro compoundorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundorganic oxoazaniumbenzoic acidnitrophenolnitrobenzenenitroaromatic compoundalcoholorganic 1,3-dipolar compoundhydroxy acidhydroxybenzoic acidaromatic homomonocyclic compoundvinylogous acidorganic oxygen compoundsalicylic acid or derivativessecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativeorganic nitrogen compoundnitrobenzoateorganooxygen compoundorganic hyponitrite |
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