| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:37 UTC |
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| Update Date | 2025-03-25 00:45:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02150237 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H18N2O4 |
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| Molecular Mass | 290.1267 |
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| SMILES | COc1cc2[nH]c3c(c2cc1OC)CCN(C)C3C(=O)O |
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| InChI Key | GUMUTEIZOXPMFJ-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 | alkyl aryl ethersalpha amino acidsamino acidsanisolesaralkylaminesazacyclic compoundsbeta carbolinescarbonyl 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 amineorganoheterocyclic compoundharmalineazacycleheteroaromatic compoundtertiary aliphatic amineharmanindole or derivativesmonocarboxylic acid or derivativesorganic oxygen compoundanisolepyrrolebeta-carbolinehydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compoundpyridoindole |
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