| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-21 00:14:58 UTC |
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| Update Date | 2025-03-21 18:33:52 UTC |
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| HMDB ID | HMDB0029873 |
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| Metabolite Identification |
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| DeepMet ID | DMID00098006 |
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| Name | (S)-Spinacine |
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| Frequency | 54.6 |
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| Structure | |
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| Chemical Formula | C7H9N3O2 |
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| Molecular Mass | 167.0695 |
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| SMILES | O=C(O)C1Cc2nc[nH]c2CN1 |
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| InChI Key | YCFJXOFFQLPCHD-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 | alpha amino acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesheteroaromatic compoundshydrocarbon derivativesimidazolesimidazopiperidinesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compounds |
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| Substituents | carbonyl groupcarboxylic acidamino acidorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazolesecondary aliphatic amineazacycleheteroaromatic compoundsecondary aminemonocarboxylic acid or derivativesimidazopiperidineorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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