| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:49 UTC |
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| Update Date | 2025-03-25 00:53:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200861 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H16N2O3 |
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| Molecular Mass | 260.1161 |
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| SMILES | COc1ccc2[nH]c3c(c2c1)CC(C(=O)O)N(C)C3 |
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| InChI Key | BWPAGUGBVSLJGR-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | indoles and derivatives |
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| Subclass | pyridoindoles |
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| Direct Parent | beta carbolines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersalpha amino acidsamino acidsanisolesaralkylaminesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspyrrolestrialkylamines |
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| Substituents | phenol ethercarbonyl groupethercarboxylic acidamino acid or derivativesamino acidindolealpha-amino acid or derivativesalkyl aryl ethercarboxylic acid derivativearalkylamineorganic oxidearomatic heteropolycyclic compoundalpha-amino acidorganonitrogen compoundorganopnictogen compoundtertiary amineazacycleheteroaromatic compoundtertiary aliphatic aminemonocarboxylic acid or derivativesorganic oxygen compoundanisolepyrrolebeta-carbolinehydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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