| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:38:27 UTC |
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| Update Date | 2025-03-21 17:58:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00011901 |
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| Frequency | 385.4 |
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| Structure | |
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| Chemical Formula | C12H23NO8 |
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| Molecular Mass | 309.1424 |
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| SMILES | O=C(O)C(O)CCCCNCC1(O)OC(CO)C(O)C1O |
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| InChI Key | CEKPAOZSJRUZOM-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 | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativesamino acidsamino fatty acidscarbonyl compoundscarboxylic acidsdialkylamineshemiacetalsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary alcoholssecondary alcoholstetrahydrofurans |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidamino acid or derivativesamino acidheterocyclic fatty acidalpha-hydroxy acidmonosaccharidefatty acidcarboxylic acid derivativemedium-chain hydroxy acidsaccharideorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhemiacetalmedium-chain fatty acidhydroxy fatty acidprimary alcoholorganoheterocyclic compoundalcoholsecondary aliphatic aminetetrahydrofuransecondary amineamino fatty acidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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