| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:27 UTC |
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| Update Date | 2025-03-25 00:47:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163459 |
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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 | O=C(O)C(O)CCCCNCC1(O)Cc2c(O)cc(O)cc2O1 |
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| InChI Key | NBAJKTFFYJZMTN-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 | hydroxy acids and derivatives |
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| Subclass | medium-chain hydroxy acids and derivatives |
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| Direct Parent | medium-chain hydroxy acids and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalpha hydroxy acids and derivativesamino acidsamino fatty acidsbenzenoidscarbonyl compoundscarboxylic acidscoumaransdialkylamineshemiacetalsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundssecondary alcohols |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidamino acid or derivativesamino acidheterocyclic fatty acidalpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidmonosaccharidefatty acidcarboxylic acid derivativemedium-chain hydroxy acidsaccharideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhemiacetalmedium-chain fatty acidhydroxy fatty acidorganoheterocyclic compoundcoumaranalcoholsecondary aliphatic amine1-hydroxy-4-unsubstituted benzenoidsecondary amineamino fatty acidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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