| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:16 UTC |
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| Update Date | 2025-03-25 00:46:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154128 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H21NO7 |
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| Molecular Mass | 327.1318 |
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| SMILES | COc1cc(CC2C(O)C(O)C(O)C(C(=O)O)N2C)ccc1O |
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| InChI Key | RLTIFSNTJGFXPD-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | piperidines |
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| Subclass | benzylpiperidines |
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| Direct Parent | 2-benzylpiperidines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-aminoalcohols1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersalpha amino acidsamino acidsanisolesazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenoxy compoundspiperidinecarboxylic acidssecondary alcoholstrialkylamines |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupether2-benzylpiperidinecarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acid1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalpha-amino acid or derivativesalkyl aryl ethercarboxylic acid derivativebeta-hydroxy acidorganic oxidealpha-amino acidorganonitrogen compoundorganopnictogen compoundpiperidinecarboxylic acidtertiary aminealcoholazacycle1,2-aminoalcoholtertiary aliphatic aminehydroxy acidmethoxybenzenemonocarboxylic acid or derivativesorganic oxygen compoundanisolesecondary alcoholphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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