| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:11:13 UTC |
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| Update Date | 2025-03-25 00:57:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02227084 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H11NO4 |
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| Molecular Mass | 209.0688 |
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| SMILES | CC(C)c1ccc(C(=O)O)cc1[N+](=O)[O-] |
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| InChI Key | MHMBAGATQNUECC-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 | aromatic monoterpenoidsbenzoic acidsbenzoyl derivativescarboxylic acidscumeneshydrocarbon derivativesmonocarboxylic acids and derivativesmonocyclic monoterpenoidsnitroaromatic compoundsnitrobenzenesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsphenylpropanespropargyl-type 1,3-dipolar organic compounds |
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| Substituents | monoterpenoidmonocyclic monoterpenoidcarboxylic acidallyl-type 1,3-dipolar organic compoundbenzoylp-cymenecarboxylic acid derivativeorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundphenylpropaneorganic oxidec-nitro compoundorganonitrogen compoundorganopnictogen compoundcumeneorganic oxoazaniumbenzoic acidnitrobenzenenitroaromatic compoundorganic 1,3-dipolar compoundaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundnitrobenzoateorganooxygen compoundorganic hyponitritearomatic monoterpenoid |
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