| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-20 23:37:13 UTC |
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| Update Date | 2025-03-21 17:57:36 UTC |
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| HMDB ID | HMDB0251685 |
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| Metabolite Identification |
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| DeepMet ID | DMID00008990 |
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| Name | Ethyl ecgonine |
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| Frequency | 538.7 |
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| Structure | |
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| Chemical Formula | C11H19NO3 |
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| Molecular Mass | 213.1365 |
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| SMILES | CCOC(=O)C1C(O)CC2CCC1N2C |
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| InChI Key | ABDMBNAKYBUEEX-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 | tropane alkaloids |
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| Subclass | tropane alkaloids |
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| Direct Parent | tropane alkaloids |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | amino acids and derivativesazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscyclic alcohols and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesn-alkylpyrrolidinesorganic oxidesorganopnictogen compoundspiperidinecarboxylic acidspiperidinessecondary alcoholstrialkylamines |
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| Substituents | carbonyl groupamino acid or derivativescarboxylic acid derivativealiphatic heteropolycyclic compoundbeta-hydroxy acidorganic oxideorganonitrogen compoundorganopnictogen compoundpiperidinecarboxylic acidpiperidinepyrrolidinetertiary amineorganoheterocyclic compoundalcoholazacyclen-alkylpyrrolidinetertiary aliphatic aminehydroxy acidcyclic alcoholmonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholhydrocarbon derivativeorganic nitrogen compoundtropane alkaloidamineorganooxygen compound |
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