| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:36 UTC |
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| Update Date | 2025-03-25 00:45:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02150216 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H24N2O5 |
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| Molecular Mass | 324.1685 |
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| SMILES | CC(=O)NC(CCCCn1c(C=O)ccc1CO)CCC(=O)O |
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| InChI Key | VTIMHLRUTUPHMI-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 | gamma amino acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetamidesamino fatty acidsaromatic alcoholsaryl-aldehydesazacyclic compoundscarboxylic acidsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessubstituted pyrroles |
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| Substituents | aromatic alcoholfatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundheterocyclic fatty acidgamma amino acid or derivativesfatty acidsubstituted pyrrolemedium-chain hydroxy acidorganic oxidearyl-aldehydeorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidorganoheterocyclic compoundacetamidealcoholazacycleheteroaromatic compoundaldehydecarboxamide groupamino fatty acidsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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