| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:22 UTC |
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| Update Date | 2025-03-25 00:54:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206636 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H20N2O5 |
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| Molecular Mass | 308.1372 |
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| SMILES | O=C(O)C(O)CCCCNCC1(O)C(O)=Nc2ccccc21 |
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| InChI Key | LFPBPOOXXYNTRK-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | indoles and derivatives |
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| Subclass | indoles |
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| Direct Parent | 3-alkylindoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativesamino acidsamino fatty acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidscyclic carboximidic acidsdialkylaminesheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary alcoholstertiary alcohols |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidamino acid or derivativesamino acidheterocyclic fatty acidalpha-hydroxy acidmonosaccharidefatty acid3-alkylindolecarboxylic acid derivativemedium-chain hydroxy acidpropargyl-type 1,3-dipolar organic compoundsaccharideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidalcoholsecondary aliphatic amineazacycleorganic 1,3-dipolar compoundhydroxy acidsecondary amineamino fatty acidtertiary alcoholmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundcyclic carboximidic acidorganooxygen compoundamine |
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