| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:57 UTC |
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| Update Date | 2025-03-25 00:47:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02164592 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H16NO3+ |
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| Molecular Mass | 198.1125 |
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| SMILES | CC(c1ccc(C(=O)O)o1)[N+](C)(C)C |
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| InChI Key | LDOICBRJJVQUSZ-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbohydrates and carbohydrate conjugates |
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| Direct Parent | furanoid amino acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aralkylaminescarboxylic acidsfuroic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundstetraalkylammonium salts |
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| Substituents | furancarboxylic acidaromatic heteromonocyclic compoundcarboxylic acid derivativearalkylamineorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationfuranoid amino acidorganic saltorganoheterocyclic compoundfuroic acid or derivativestetraalkylammonium saltquaternary ammonium saltheteroaromatic compoundfuroic acidoxacyclemonocarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundamine |
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