| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:06 UTC |
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| Update Date | 2025-03-25 00:54:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02203744 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H23NO9 |
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| Molecular Mass | 337.1373 |
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| SMILES | O=C(O)CCCCC(O)C(O)=NC1OC(CO)C(O)C(O)C1O |
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| InChI Key | HTRRIDKXRPNUBE-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 | amino fatty acidscarbonyl compoundscarboximidic acidscarboxylic acidsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholspropargyl-type 1,3-dipolar organic compoundssecondary alcohols |
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| Substituents | fatty acylcarboximidic acidcarbonyl groupcarboxylic acidheterocyclic fatty acidmonosaccharidefatty acidcarboxylic acid derivativemedium-chain hydroxy acidpropargyl-type 1,3-dipolar organic compoundsaccharideorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidoxaneprimary alcoholorganoheterocyclic compoundalcoholorganic 1,3-dipolar compoundamino fatty acidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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