| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:19:31 UTC |
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| Update Date | 2025-03-25 01:00:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02246021 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H16N2O2 |
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| Molecular Mass | 244.1212 |
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| SMILES | CC1c2[nH]c3ccccc3c2CC(C(=O)O)N1C |
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| InChI Key | TWPZAUPPRSQWBA-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | alkaloids and derivatives |
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| Class | harmala alkaloids |
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| Subclass | harmala alkaloids |
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| Direct Parent | harmala alkaloids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsaralkylaminesazacyclic compoundsbenzenoidsbeta carbolinescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspyrrolestrialkylamines |
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| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acidindolealpha-amino acid or derivativescarboxylic acid derivativearalkylamineorganic oxidearomatic heteropolycyclic compoundalpha-amino acidorganonitrogen compoundorganopnictogen compoundtertiary amineorganoheterocyclic compoundazacycleheteroaromatic compoundtertiary aliphatic amineharmanindole or derivativesmonocarboxylic acid or derivativesorganic oxygen compoundpyrrolebeta-carbolinehydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compoundpyridoindole |
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