| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:02 UTC |
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| Update Date | 2025-03-25 00:46:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02158062 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H10N2O5 |
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| Molecular Mass | 226.059 |
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| SMILES | O=C(O)c1cc([N+](=O)[O-])ccc1NCCO |
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| InChI Key | ZCXBRELULXFLOW-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 compoundsalcohols and polyolsalkanolaminesamino acidsbenzoic acidsbenzoyl derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesnitroaromatic compoundsnitrobenzenesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganopnictogen compoundsphenylalkylaminespropargyl-type 1,3-dipolar organic compoundssecondary alkylarylaminesvinylogous amides |
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| Substituents | carboxylic acidamino acid or derivativesamino acidallyl-type 1,3-dipolar organic compoundbenzoylcarboxylic acid derivativeorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidec-nitro compoundorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundorganic oxoazaniumbenzoic acidalkanolaminenitrobenzenenitroaromatic compoundalcoholvinylogous amideorganic 1,3-dipolar compoundsecondary aminesecondary aliphatic/aromatic aminearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundphenylalkylaminehydrocarbon derivativeorganic nitrogen compoundnitrobenzoateamineorganooxygen compoundorganic hyponitrite |
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