| 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 | DMID02200864 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H18N2O3 |
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| Molecular Mass | 274.1317 |
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| SMILES | COc1ccc2[nH]c3c(c2c1)CCN(C)C3CC(=O)O |
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| InChI Key | DUFWXOHFGQNYPG-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 ethersamino acidsanisolesaralkylaminesazacyclic compoundsbeta carbolinescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspyrrolestrialkylamines |
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| Substituents | phenol ethercarbonyl groupethercarboxylic acidamino acid or derivativesamino acidindolealkyl aryl ethercarboxylic acid derivativearalkylamineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundtertiary amineorganoheterocyclic compoundazacycleheteroaromatic compoundtertiary aliphatic amineharmanindole or derivativesmonocarboxylic acid or derivativesorganic oxygen compoundanisolepyrrolebeta-carbolinehydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compoundpyridoindole |
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