| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:58 UTC |
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| Update Date | 2025-03-25 00:48:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02167022 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H19NO5 |
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| Molecular Mass | 257.1263 |
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| SMILES | CC(=O)OCOC(=O)C1C(O)CC2CCC1N2C |
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| InChI Key | YKGPPVOUPCNOTL-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 | acetalsacylalsamino acids and derivativesazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscyclic alcohols and derivativesdicarboxylic acids and derivativeshydrocarbon derivativesn-alkylpyrrolidinesorganic oxidesorganopnictogen compoundspiperidinecarboxylic acidspiperidinessecondary alcoholstrialkylamines |
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| Substituents | carbonyl groupamino acid or derivativescarboxylic acid derivativealiphatic heteropolycyclic compoundacylalbeta-hydroxy acidorganic oxideacetalorganonitrogen compoundorganopnictogen compoundpiperidinecarboxylic acidpiperidinepyrrolidinetertiary amineorganoheterocyclic compoundalcoholazacyclen-alkylpyrrolidinetertiary aliphatic aminehydroxy acidcyclic alcoholorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundtropane alkaloidamineorganooxygen compound |
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