| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:53 UTC |
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| Update Date | 2025-03-25 00:47:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162152 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H11NO2 |
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| Molecular Mass | 165.079 |
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| SMILES | O=C(O)C1NCC2C=CC=CC21 |
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| InChI Key | RDYNXUADNNMZSC-UHFFFAOYSA-N |
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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 | bicyclic amino acids and derivatives |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesisoindolesisoindolinesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspyrrolidine carboxylic acids |
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| Substituents | bicyclic amino acidcarbonyl groupcarboxylic acidamino acid or derivativesamino acidalpha-amino acid or derivativescarboxylic acid derivativealiphatic heteropolycyclic compoundorganic oxideisoindolinepyrrolidine carboxylic acidorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundsecondary aliphatic amineazacycleisoindolesecondary aminemonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesisoindole or derivativeshydrocarbon derivativeorganic nitrogen compoundamine |
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