| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:08 UTC |
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| Update Date | 2025-03-25 00:55:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02213251 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H23N3O5 |
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| Molecular Mass | 337.1638 |
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| SMILES | CN1C(=O)C(O)(CNCCCCC(N)C(=O)O)Oc2ccccc21 |
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| InChI Key | QTOKFWUTADMMFO-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 | benzoxazines |
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| Subclass | benzoxazinones |
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| Direct Parent | benzoxazinones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsamino fatty acidsazacyclic compoundsbenzenoidsbenzomorpholinesbeta amino acids and derivativescarbonyl compoundscarboxylic acidsdialkylamineshemiacetalsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidslactamsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundstertiary carboxylic acid amides |
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| Substituents | fatty acylcarbonyl grouplactamcarboxylic acidamino acid or derivativesamino acidheterocyclic fatty acidfatty acidalpha-amino acid or derivativescarboxylic acid derivativemedium-chain hydroxy acidbenzomorpholineorganic oxidearomatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhemiacetalmedium-chain fatty acidhydroxy fatty acidsecondary aliphatic amineazacyclesecondary aminecarboxamide groupamino fatty acidbeta amino acid or derivativesoxazinaneoxacyclemorpholinemonocarboxylic acid or derivativesbenzoxazinoneorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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