| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:47 UTC |
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| Update Date | 2025-03-25 00:53:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200810 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H12N2O4 |
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| Molecular Mass | 236.0797 |
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| SMILES | COc1ccc2[nH]cc(CCO[N+](=O)[O-])c2c1 |
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| InChI Key | PQJHJRIEOSPZJL-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | indoles and derivatives |
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| Subclass | indoles |
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| Direct Parent | indoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersalkyl nitratesanisolesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesnitrate estersorganic nitro compoundsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrroles |
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| Substituents | phenol etheretherindoleallyl-type 1,3-dipolar organic compoundalkyl aryl etherorganic nitro compoundorganic oxidearomatic heteropolycyclic compoundalkyl nitrateorganonitrogen compoundorganopnictogen compoundorganic nitric acid or derivativesazacycleorganic nitratenitrate esterheteroaromatic compoundorganic 1,3-dipolar compoundorganic oxygen compoundanisolepyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundorganic hyponitrite |
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