| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:42 UTC |
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| Update Date | 2025-03-25 00:47:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02159548 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C5H3NO4 |
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| Molecular Mass | 141.0062 |
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| SMILES | O=Cc1cc([N+](=O)[O-])co1 |
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| InChI Key | LRRBMMMGCYHUNI-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic 1,3-dipolar compounds |
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| Class | allyl-type 1,3-dipolar organic compounds |
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| Subclass | organic nitro compounds |
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| Direct Parent | nitroaromatic compounds |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aryl-aldehydesfuransheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | nitroaromatic compoundfuranaromatic heteromonocyclic compoundheteroaromatic compoundaldehydepropargyl-type 1,3-dipolar organic compoundoxacycleorganic oxidearyl-aldehydeorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic oxoazaniumorganoheterocyclic compoundorganooxygen compoundorganic hyponitrite |
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