| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:01 UTC |
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| Update Date | 2025-03-25 00:47:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02164771 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H16NO4+ |
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| Molecular Mass | 202.1074 |
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| SMILES | CC(O)C1OC(=O)C([N+](C)(C)C)=C1O |
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| InChI Key | SOBPGOVBAHZNMR-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | aminesbutenolidescarbonyl compoundsdihydrofuransenoate estershydrocarbon derivativeslactonesmonocarboxylic acids and derivativesmonosaccharidesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundsoxacyclic compoundsquaternary ammonium saltssecondary alcoholsvinylogous acids |
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| Substituents | carbonyl groupmonosaccharidelactonealpha,beta-unsaturated carboxylic ester2-furanonesaccharideorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationorganic saltorganoheterocyclic compounddihydrofuranenoate esteralcoholquaternary ammonium saltoxacyclevinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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