| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:58:49 UTC |
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| Update Date | 2025-03-21 18:05:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00059361 |
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| Frequency | 53.0 |
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| Structure | |
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| Chemical Formula | C12H16NO6+ |
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| Molecular Mass | 270.0972 |
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| SMILES | COC1C(O)C(CO)OC1[n+]1cccc(C(=O)O)c1 |
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| InChI Key | ZDNAOIRTCMQCPN-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 | pyridines and derivatives |
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| Subclass | pyridinecarboxylic acids and derivatives |
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| Direct Parent | pyridine-3-carboxylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarboxylic acidsdialkyl ethersheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesmonocarboxylic acids and derivativesmonosaccharidesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcoholssecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | ethercarboxylic acidaromatic heteromonocyclic compoundpyridine-3-carboxylic acidmonosaccharidecarboxylic acid derivativedialkyl ethersaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationprimary alcoholalcoholvinylogous amideazacycletetrahydrofuranheteroaromatic compoundhydroxypyridinemethylpyridineoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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