| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:28 UTC |
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| Update Date | 2025-03-25 00:50:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179588 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H25NO5 |
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| Molecular Mass | 335.1733 |
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| SMILES | COc1ccc(COC(=O)C2C(O)CC3CCC2N3C)cc1OC |
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| InChI Key | IJMRDKUOBWNSEY-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzyloxycarbonyls |
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| Direct Parent | benzyloxycarbonyls |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersamino acids and derivativesanisolesazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscyclic alcohols and derivativesdimethoxybenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesn-alkylpyrrolidinesorganic oxidesorganopnictogen compoundsphenoxy compoundspiperidinecarboxylic acidspiperidinessecondary alcoholstrialkylaminestropane alkaloids |
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| Substituents | benzyloxycarbonylphenol ethercarbonyl groupetheramino acid or derivativesalkyl aryl ethercarboxylic acid derivativedimethoxybenzenebeta-hydroxy acidorganic oxidearomatic heteropolycyclic compoundo-dimethoxybenzeneorganonitrogen compoundorganopnictogen compoundpiperidinecarboxylic acidpiperidinepyrrolidinetertiary amineorganoheterocyclic compoundalcoholazacyclen-alkylpyrrolidinetertiary aliphatic aminehydroxy acidcyclic alcoholmethoxybenzenemonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid estersecondary alcoholhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundtropane alkaloidamineorganooxygen compound |
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