| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:53 UTC |
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| Update Date | 2025-03-25 00:53:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02203234 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H15N2O4+ |
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| Molecular Mass | 263.1026 |
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| SMILES | O=C(O)CCC(Cc1c[nH]c2ccccc12)[N+](=O)O |
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| InChI Key | MNVVUTADSBVUNW-UHFFFAOYSA-O |
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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 | azacyclic compoundsbenzenoidsc-nitro compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativesmedium-chain fatty acidsmonocarboxylic acids and derivativesnitro fatty acidsorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrroles |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidheterocyclic fatty acidindoleallyl-type 1,3-dipolar organic compoundfatty acidcarboxylic acid derivativeorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundnitro fatty acidorganic oxidearomatic heteropolycyclic compoundc-nitro compoundorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidorganic oxoazaniumazacycleheteroaromatic compoundorganic 1,3-dipolar compoundmonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundorganic hyponitrite |
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