| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:05:20 UTC |
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| Update Date | 2025-03-21 18:28:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00074941 |
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| Frequency | 39.5 |
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| Structure | |
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| Chemical Formula | C14H20N2O6 |
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| Molecular Mass | 312.1321 |
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| SMILES | O=Cc1ccc(CO)n1CCCCC(NCC(=O)O)C(=O)O |
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| InChI Key | VDYZRDYKEZQQOY-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 | alpha amino acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino acidsamino fatty acidsaromatic alcoholsaryl-aldehydesazacyclic compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativesheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesorganic oxidesorganopnictogen compoundssubstituted pyrroles |
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| Substituents | aromatic alcoholfatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidheterocyclic fatty acidfatty acidsubstituted pyrrolemedium-chain hydroxy acidorganic oxidearyl-aldehydeorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidorganoheterocyclic compoundalcoholsecondary aliphatic amineazacycleheteroaromatic compoundaldehydesecondary amineamino fatty acidorganic oxygen compoundpyrroledicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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