| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-20 23:48:53 UTC |
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| Update Date | 2025-03-21 18:02:00 UTC |
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| HMDB ID | HMDB0304749 |
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| Metabolite Identification |
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| DeepMet ID | DMID00035840 |
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| Name | Valine-betaxanthin |
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| Frequency | 99.1 |
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| Structure | |
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| Chemical Formula | C14H18N2O6 |
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| Molecular Mass | 310.1165 |
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| SMILES | CC(C)C(N=CC=C1C=C(C(=O)O)NC(C(=O)O)C1)C(=O)O |
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| InChI Key | OFCWWHRZBKKYLH-UHFFFAOYSA-N |
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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 | valine and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | aldiminesalpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundstetrahydropyridinestricarboxylic acids and derivatives |
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| Substituents | carbonyl groupcarboxylic acidamino acidiminetricarboxylic acid or derivativespropargyl-type 1,3-dipolar organic compoundaldimineorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundsecondary aliphatic amineazacyclevaline or derivativestetrahydropyridineorganic 1,3-dipolar compoundsecondary amineorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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