| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:32 UTC |
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| Update Date | 2025-03-25 00:45:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152376 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H19N3O3 |
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| Molecular Mass | 277.1426 |
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| SMILES | NC(CCCCNc1c[nH]c2ccc(O)cc12)C(=O)O |
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| InChI Key | XLPXFIBPVMRSBP-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 heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsamino acidsamino fatty acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsindolesmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspyrrolessecondary alkylarylamines |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidamino acidheterocyclic fatty acidindole1-hydroxy-2-unsubstituted benzenoidfatty acidmedium-chain hydroxy acidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidorganoheterocyclic compoundazacycleheteroaromatic compoundindole or derivativessecondary amineamino fatty acidsecondary aliphatic/aromatic aminemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundamineorganooxygen compound |
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