| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:15 UTC |
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| Update Date | 2025-03-25 00:59:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02236153 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H19NO6 |
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| Molecular Mass | 297.1212 |
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| SMILES | COc1cc(CC2C(O)C(O)C(C(=O)O)N2C)ccc1O |
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| InChI Key | FMIPKSCKHOPWFT-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | proline and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-aminoalcohols1,2-diols1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersalpha amino acidsamino acidsanisolesazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesn-alkylpyrrolidinesorganic oxidesorganopnictogen compoundsphenoxy compoundspyrrolidine carboxylic acidssecondary alcoholstrialkylamines |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundamino acid1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherbeta-hydroxy acidorganic oxidepyrrolidine carboxylic acidalpha-amino acidorganonitrogen compoundorganopnictogen compoundpyrrolidinetertiary amineorganoheterocyclic compound1,2-diolproline or derivativesalcoholazacyclen-alkylpyrrolidine1,2-aminoalcoholtertiary aliphatic aminehydroxy acidmethoxybenzenemonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundanisolesecondary alcoholphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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