| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:01 UTC |
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| Update Date | 2025-03-25 00:46:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02158018 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H13NO2 |
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| Molecular Mass | 203.0946 |
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| SMILES | O=C(O)c1ccc2c(c1)C1CCCN1C2 |
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| InChI Key | VMYDLDGHWWRJPI-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzazocines |
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| Direct Parent | benzazocines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | amino acidsaralkylaminesazacyclic compoundsbenzenoidscarboxylic acidshydrocarbon derivativesisoindolesisoindolinesmonocarboxylic acids and derivativesn-alkylpyrrolidinesorganic oxidesorganooxygen compoundsorganopnictogen compoundstrialkylamines |
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| Substituents | carboxylic acidamino acid or derivativesamino acidcarboxylic acid derivativearalkylamineorganic oxideisoindolinearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundpyrrolidinetertiary amineorganoheterocyclic compoundazacyclen-alkylpyrrolidineisoindoletertiary aliphatic aminemonocarboxylic acid or derivativesorganic oxygen compoundisoindole or derivativesbenzazocinehydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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